N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide

C17H27N3O2 — CID 148676240

IUPACN-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc(NC(=O)C(CC)CC)n1
InChIInChI=1S/C17H27N3O2/c1-5-9-12(4)16(21)19-14-10-8-11-15(18-14)20-17(22)13(6-2)7-3/h8,10-13H,5-7,9H2,1-4H3,(H2,18,19,20,21,22)
InChIKeyNQRYFYPLZPBKMV-UHFFFAOYSA-N
MW305.42 g/mol
LogP3.83
Rot. Bonds8

About N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide

N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide (PubChem CID 148676240) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide.

Molecular Properties

Compound NameN-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide
PubChem CID148676240
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC NameN-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide
SMILESCCCC(C)C(=O)Nc1cccc(NC(=O)C(CC)CC)n1
InChIInChI=1S/C17H27N3O2/c1-5-9-12(4)16(21)19-14-10-8-11-15(18-14)20-17(22)13(6-2)7-3/h8,10-13H,5-7,9H2,1-4H3,(H2,18,19,20,21,22)
InChIKeyNQRYFYPLZPBKMV-UHFFFAOYSA-N
XLogP3.83
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(6-bromo-2-pyridinyl)-2-methylpentanamide
CID 43520555
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
2-ethyl-N-(6-methyl-2-pyridinyl)hexanamide
CID 3528260
N-(6-bromo-2-pyridinyl)-2-ethylhexanamide
CID 43520540
3-chloro-N-(6-fluoro-2-pyridinyl)-2-methylpropanamide
CID 116813108
N-(2,6-diethylphenyl)-2-methylpentanamide
CID 2952555
(E)-3-[6-(2-ethylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 109374976
N-(2,6-dimethylphenyl)-2-methylpentanamide
CID 2890749
2-methyl-N-naphthalen-1-ylpentanamide
CID 112762783
2-methyl-N-phenylpentanamide
CID 4627801
3-[6-(2-methylbutanoylamino)-2-pyridinyl]prop-2-enoic acid
CID 54971815
(2S)-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)pentanamide
CID 670809

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide?
The IUPAC name of N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide (CID 148676240) is N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide.
What is the SMILES notation for N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide?
The canonical SMILES for N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide is CCCC(C)C(=O)Nc1cccc(NC(=O)C(CC)CC)n1.
What is the InChIKey of N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide?
The InChIKey is NQRYFYPLZPBKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-5-9-12(4)16(21)19-14-10-8-11-15(18-14)20-17(22)13(6-2)7-3/h8,10-13H,5-7,9H2,1-4H3,(H2,18,19,20,21,22).
What are the key properties of N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide?
N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide has a molecular weight of 305.42 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-ethylbutanoylamino)-2-pyridinyl]-2-methylpentanamide is sourced from PubChem (CID 148676240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).