5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide

C13H20N4O3 — CID 119897985

IUPAC5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide
SMILESCCC(C)C(N)C(=O)Nc1cnc(OC)c(C(N)=O)c1
InChIInChI=1S/C13H20N4O3/c1-4-7(2)10(14)12(19)17-8-5-9(11(15)18)13(20-3)16-6-8/h5-7,10H,4,14H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyHWLMUEDMSYLORE-UHFFFAOYSA-N
MW280.33 g/mol
LogP0.50
Rot. Bonds6

About 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide

5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide (PubChem CID 119897985) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide
PubChem CID119897985
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide
SMILESCCC(C)C(N)C(=O)Nc1cnc(OC)c(C(N)=O)c1
InChIInChI=1S/C13H20N4O3/c1-4-7(2)10(14)12(19)17-8-5-9(11(15)18)13(20-3)16-6-8/h5-7,10H,4,14H2,1-3H3,(H2,15,18)(H,17,19)
InChIKeyHWLMUEDMSYLORE-UHFFFAOYSA-N
XLogP0.50
TPSA120.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)pentanamide
CID 61260663
(2S,3S)-2-amino-N-(3,4-dimethoxyphenyl)-3-methylpentanamide
CID 42313650
(2S)-2-amino-N-(4,6-dimethoxypyrimidin-2-yl)-3-methylpentanamide
CID 107625737
2-amino-N-(3-ethoxyphenyl)-3-methylpentanamide
CID 54862748
(2S,3S)-2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]-3-methylpentanamide
CID 61178172
4-[(2-amino-3-methylpentanoyl)amino]benzamide
CID 24711827
2-amino-3-methyl-N-(2-phenylpyrimidin-5-yl)pentanamide
CID 43709265
methyl 2-[3-[(2-amino-3-methylpentanoyl)amino]phenoxy]acetate
CID 119713766
4-[[(2S)-2-amino-3-methylpentanoyl]amino]-2-methoxybenzoic acid
CID 107208045
5-[(5-fluoro-2-methoxybenzoyl)amino]-2-methoxypyridine-3-carboxamide
CID 154743816
(2S,3S)-2-amino-N-(3,5-dichlorophenyl)-3-methylpentanamide
CID 42314535
(2S,3S)-2-amino-3-methyl-N-pyridin-4-ylpentanamide
CID 61148096

Frequently Asked Questions

What is the IUPAC name of 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide?
The IUPAC name of 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide (CID 119897985) is 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide is CCC(C)C(N)C(=O)Nc1cnc(OC)c(C(N)=O)c1.
What is the InChIKey of 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide?
The InChIKey is HWLMUEDMSYLORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-4-7(2)10(14)12(19)17-8-5-9(11(15)18)13(20-3)16-6-8/h5-7,10H,4,14H2,1-3H3,(H2,15,18)(H,17,19).
What are the key properties of 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide?
5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 0.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-amino-3-methylpentanoyl)amino]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 119897985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).