N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide

C15H25N3O — CID 115498349

IUPACN-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cccc(NC(C)C)n1
InChIInChI=1S/C15H25N3O/c1-11(2)9-10-18(5)15(19)13-7-6-8-14(17-13)16-12(3)4/h6-8,11-12H,9-10H2,1-5H3,(H,16,17)
InChIKeyUVCRTHCNEQHRIE-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.02
Rot. Bonds6

About N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide

N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide (PubChem CID 115498349) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
PubChem CID115498349
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide
SMILESCC(C)CCN(C)C(=O)c1cccc(NC(C)C)n1
InChIInChI=1S/C15H25N3O/c1-11(2)9-10-18(5)15(19)13-7-6-8-14(17-13)16-12(3)4/h6-8,11-12H,9-10H2,1-5H3,(H,16,17)
InChIKeyUVCRTHCNEQHRIE-UHFFFAOYSA-N
XLogP3.02
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Pyridine amide, 13
CID 44236999
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-6-methyl-2,8-dioxo-3-propyl-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042267
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-isobutyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 44266873
2-(2,4-dioxo-1,3-diazaspiro[4.4]non-3-yl)-N-(6-methylpyridin-2-yl)acetamide
CID 24981032
6-methyl-N-(6-methylpyridin-2-yl)picolinamide
CID 11195510
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]benzamide
CID 11494093
N-[4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]butyl]pyridine-2-carboxamide
CID 11501253
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-(6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 15454127
N-cyclohexyl-6-(piperidin-1-yl)picolinamide
CID 67467060
N-(4-hydroxycyclohexyl)-6-piperidin-1-ylpyridine-2-carboxamide
CID 67468176
N-[(5S)-6-[4-(6-Methylpyridin-2-yl)piperazin-1-yl]-6-oxo-5-(phenylformamido)hexyl]prop-2-enamide
CID 71452144
tert-Butyl N-[(2S)-1-[4-(6-methylpyridin-2-yl)piperazin-1-yl]-1-oxo-6-(prop-2-enamido)hexan-2-yl]carbamate
CID 71452145

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The IUPAC name of N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide (CID 115498349) is N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The canonical SMILES for N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide is CC(C)CCN(C)C(=O)c1cccc(NC(C)C)n1.
What is the InChIKey of N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
The InChIKey is UVCRTHCNEQHRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-11(2)9-10-18(5)15(19)13-7-6-8-14(17-13)16-12(3)4/h6-8,11-12H,9-10H2,1-5H3,(H,16,17).
What are the key properties of N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide?
N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 3.02, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(3-methylbutyl)-6-(propan-2-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 115498349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).