N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide

C12H17N3O2 — CID 47293166

IUPACN-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C12H17N3O2/c1-3-4-11(16)14-8-12(17)15-10-6-5-9(2)7-13-10/h5-7H,3-4,8H2,1-2H3,(H,14,16)(H,13,15,17)
InChIKeyQZGJPPNBTLJBIF-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.24
Rot. Bonds5

About N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide

N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide (PubChem CID 47293166) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide.

Molecular Properties

Compound NameN-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
PubChem CID47293166
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide
SMILESCCCC(=O)NCC(=O)Nc1ccc(C)cn1
InChIInChI=1S/C12H17N3O2/c1-3-4-11(16)14-8-12(17)15-10-6-5-9(2)7-13-10/h5-7H,3-4,8H2,1-2H3,(H,14,16)(H,13,15,17)
InChIKeyQZGJPPNBTLJBIF-UHFFFAOYSA-N
XLogP1.24
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
N-(5-methyl-2-pyridinyl)-2-sulfanylacetamide
CID 83773687
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
3-methoxy-N-(5-methyl-2-pyridinyl)propanamide
CID 127118084
methyl 4-[(5-methyl-2-pyridinyl)amino]-4-oxobutanoate
CID 47150722
3-[bis(ethylamino)methylideneamino]-N-(5-methyl-2-pyridinyl)propanamide
CID 110927806
N-[2-(2,4-dimethylanilino)-2-oxoethyl]butanamide
CID 47205616
2-(cyclopropylamino)-N-(5-methyl-2-pyridinyl)acetamide
CID 60842500
3-[[2-(4-methylphenyl)acetyl]amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 51103073
1-hexyl-3-(5-methyl-2-pyridinyl)urea
CID 158285971
N-(5-methyl-2-pyridinyl)-2-(prop-2-enylamino)acetamide
CID 79286305
5-bromo-N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 47265799

Frequently Asked Questions

What is the IUPAC name of N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide?
The IUPAC name of N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide (CID 47293166) is N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide.
What is the SMILES notation for N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide?
The canonical SMILES for N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide is CCCC(=O)NCC(=O)Nc1ccc(C)cn1.
What is the InChIKey of N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide?
The InChIKey is QZGJPPNBTLJBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-3-4-11(16)14-8-12(17)15-10-6-5-9(2)7-13-10/h5-7H,3-4,8H2,1-2H3,(H,14,16)(H,13,15,17).
What are the key properties of N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide?
N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide has a molecular weight of 235.29 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(5-methyl-2-pyridinyl)amino]-2-oxoethyl]butanamide is sourced from PubChem (CID 47293166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).