N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide

C94H147N15O11 — CID 159101782

IUPACN-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide
SMILESCC(C)CCC(=O)Nc1ccccn1.CC(C)CCC(=O)Nc1cccnc1.CCCCNC(=O)CCC(C)C.CCc1ccc(NC(=O)CCC(C)C)cn1.CCc1ccc(NC(=O)CCC(C)C)nc1.COc1ccc(NC(=O)CCC(C)C)cn1.COc1ccc(NC(=O)CCC(C)C)nc1.COc1ccnc(NC(=O)CCC(C)C)c1
InChIInChI=1S/2C13H20N2O.3C12H18N2O2.2C11H16N2O.C10H21NO/c1-4-11-6-7-12(9-14-11)15-13(16)8-5-10(2)3;1-4-11-6-7-12(14-9-11)15-13(16)8-5-10(2)3;1-9(2)4-7-12(15)14-11-6-5-10(16-3)8-13-11;1-9(2)4-6-11(15)14-10-5-7-12(16-3)13-8-10;1-9(2)4-5-12(15)14-11-8-10(16-3)6-7-13-11;1-9(2)5-6-11(14)13-10-4-3-7-12-8-10;1-9(2)6-7-11(14)13-10-5-3-4-8-12-10;1-4-5-8-11-10(12)7-6-9(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16);6-7,9-10H,4-5,8H2,1-3H3,(H,14,15,16);5-6,8-9H,4,7H2,1-3H3,(H,13,14,15);5,7-9H,4,6H2,1-3H3,(H,14,15);6-9H,4-5H2,1-3H3,(H,13,14,15);3-4,7-9H,5-6H2,1-2H3,(H,13,14);3-5,8-9H,6-7H2,1-2H3,(H,12,13,14);9H,4-8H2,1-3H3,(H,11,12)
InChIKeyKDJNABZVNGWOAL-UHFFFAOYSA-N
MW1663.30 g/mol
LogP20.68
Rot. Bonds39

About N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide

N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide (PubChem CID 159101782) has the molecular formula C94H147N15O11 and a molecular weight of 1663.30 g/mol. Its IUPAC name is N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide.

Molecular Properties

Compound NameN-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide
PubChem CID159101782
Molecular FormulaC94H147N15O11
Molecular Weight1663.30 g/mol
Exact Mass1662.14
IUPAC NameN-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide
SMILESCC(C)CCC(=O)Nc1ccccn1.CC(C)CCC(=O)Nc1cccnc1.CCCCNC(=O)CCC(C)C.CCc1ccc(NC(=O)CCC(C)C)cn1.CCc1ccc(NC(=O)CCC(C)C)nc1.COc1ccc(NC(=O)CCC(C)C)cn1.COc1ccc(NC(=O)CCC(C)C)nc1.COc1ccnc(NC(=O)CCC(C)C)c1
InChIInChI=1S/2C13H20N2O.3C12H18N2O2.2C11H16N2O.C10H21NO/c1-4-11-6-7-12(9-14-11)15-13(16)8-5-10(2)3;1-4-11-6-7-12(14-9-11)15-13(16)8-5-10(2)3;1-9(2)4-7-12(15)14-11-6-5-10(16-3)8-13-11;1-9(2)4-6-11(15)14-10-5-7-12(16-3)13-8-10;1-9(2)4-5-12(15)14-11-8-10(16-3)6-7-13-11;1-9(2)5-6-11(14)13-10-4-3-7-12-8-10;1-9(2)6-7-11(14)13-10-5-3-4-8-12-10;1-4-5-8-11-10(12)7-6-9(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16);6-7,9-10H,4-5,8H2,1-3H3,(H,14,15,16);5-6,8-9H,4,7H2,1-3H3,(H,13,14,15);5,7-9H,4,6H2,1-3H3,(H,14,15);6-9H,4-5H2,1-3H3,(H,13,14,15);3-4,7-9H,5-6H2,1-2H3,(H,13,14);3-5,8-9H,6-7H2,1-2H3,(H,12,13,14);9H,4-8H2,1-3H3,(H,11,12)
InChIKeyKDJNABZVNGWOAL-UHFFFAOYSA-N
XLogP20.68
TPSA350.72 Ų
H-Bond Donors8
H-Bond Acceptors18
Rotatable Bonds39
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001663.30
LogP ≤ 520.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide with MolForge

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Related Compounds

6-[[[(3R,6S)-6-[(1S)-1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25134040
6-[[[(3R,6S)-6-[1-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 67365574
Cyclopropyl-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]methanone
CID 59373971
2-Methyl-1-[4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]pyrazin-2-yl]piperidin-1-yl]propan-1-one
CID 59374138
6-[[[1-[2-[6-(4-methylpiperazin-1-yl)-1,5-naphthyridin-4-yl]ethyl]piperidin-4-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one;hydrochloride
CID 44536353
6-[[[(3R,6S)-6-[2-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137645253
4-[4-[3-[2-(Dimethylamino)ethylamino]-6-(5-methoxy-3-pyridinyl)-2-pyridinyl]piperidin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 132161889
4-[4-[6-(5-Methoxy-3-pyridinyl)-3-[2-(propan-2-ylamino)ethylamino]-2-pyridinyl]piperidin-1-yl]-5-methyl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 132162067
6-[[[3-(6-methoxy-3-oxopyrido[2,3-b]pyrazin-4-yl)-5,6,7,8-tetrahydroquinolin-7-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 25022397
2-phenyl-N-[5-[4-[[6-[(2-phenylacetyl)amino]-3-pyridinyl]oxy]piperidin-1-yl]-2-pyridinyl]acetamide
CID 121256444
6-[[[(3R,6S)-6-[(2R)-2-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137638025
6-[[[(3R,6S)-6-[(2S)-2-amino-2-(6-methoxy-1,5-naphthyridin-4-yl)ethyl]oxan-3-yl]amino]methyl]-4H-pyrido[3,2-b][1,4]oxazin-3-one
CID 137643988

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide?
The IUPAC name of N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide (CID 159101782) is N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide.
What is the SMILES notation for N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide?
The canonical SMILES for N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide is CC(C)CCC(=O)Nc1ccccn1.CC(C)CCC(=O)Nc1cccnc1.CCCCNC(=O)CCC(C)C.CCc1ccc(NC(=O)CCC(C)C)cn1.CCc1ccc(NC(=O)CCC(C)C)nc1.COc1ccc(NC(=O)CCC(C)C)cn1.COc1ccc(NC(=O)CCC(C)C)nc1.COc1ccnc(NC(=O)CCC(C)C)c1.
What is the InChIKey of N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide?
The InChIKey is KDJNABZVNGWOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H20N2O.3C12H18N2O2.2C11H16N2O.C10H21NO/c1-4-11-6-7-12(9-14-11)15-13(16)8-5-10(2)3;1-4-11-6-7-12(14-9-11)15-13(16)8-5-10(2)3;1-9(2)4-7-12(15)14-11-6-5-10(16-3)8-13-11;1-9(2)4-6-11(15)14-10-5-7-12(16-3)13-8-10;1-9(2)4-5-12(15)14-11-8-10(16-3)6-7-13-11;1-9(2)5-6-11(14)13-10-4-3-7-12-8-10;1-9(2)6-7-11(14)13-10-5-3-4-8-12-10;1-4-5-8-11-10(12)7-6-9(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16);6-7,9-10H,4-5,8H2,1-3H3,(H,14,15,16);5-6,8-9H,4,7H2,1-3H3,(H,13,14,15);5,7-9H,4,6H2,1-3H3,(H,14,15);6-9H,4-5H2,1-3H3,(H,13,14,15);3-4,7-9H,5-6H2,1-2H3,(H,13,14);3-5,8-9H,6-7H2,1-2H3,(H,12,13,14);9H,4-8H2,1-3H3,(H,11,12).
What are the key properties of N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide?
N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide has a molecular weight of 1663.30 g/mol, XLogP of 20.68, 39 rotatable bonds, 8 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methylpentanamide;N-(5-ethyl-2-pyridinyl)-4-methylpentanamide;N-(6-ethyl-3-pyridinyl)-4-methylpentanamide;N-(4-methoxy-2-pyridinyl)-4-methylpentanamide;N-(5-methoxy-2-pyridinyl)-4-methylpentanamide;N-(6-methoxy-3-pyridinyl)-4-methylpentanamide;4-methyl-N-pyridin-2-ylpentanamide;4-methyl-N-pyridin-3-ylpentanamide is sourced from PubChem (CID 159101782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).