N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide

C14H23N3O — CID 107158461

IUPACN-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(N)CC(C)(C)C)c1
InChIInChI=1S/C14H23N3O/c1-10-5-11(8-16-7-10)13(18)17-9-12(15)6-14(2,3)4/h5,7-8,12H,6,9,15H2,1-4H3,(H,17,18)
InChIKeyZFPQKVHSZAEVNS-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.88
Rot. Bonds4

About N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide

N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide (PubChem CID 107158461) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
PubChem CID107158461
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(N)CC(C)(C)C)c1
InChIInChI=1S/C14H23N3O/c1-10-5-11(8-16-7-10)13(18)17-9-12(15)6-14(2,3)4/h5,7-8,12H,6,9,15H2,1-4H3,(H,17,18)
InChIKeyZFPQKVHSZAEVNS-UHFFFAOYSA-N
XLogP1.88
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5,5-dimethyl-1-(5-methyl-3-pyridinyl)hexan-1-one
CID 116614669
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
N-(2-amino-4,4-dimethylpentyl)-3,4-dihydroxybenzamide
CID 107727577
N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
CID 66092534
5-hydroxy-N-(2-hydroxy-4,4-dimethylpentyl)pyridine-3-carboxamide
CID 113237911
N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
CID 114310132
N-(2-amino-4,4-dimethylpentyl)-2-fluoro-5-methylbenzamide
CID 107158423
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 104593590
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
N-(2-amino-4,4-dimethylpentyl)-2,2-dimethylpropanamide
CID 107158412
5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide
CID 178011201

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide (CID 107158461) is N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCC(N)CC(C)(C)C)c1.
What is the InChIKey of N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide?
The InChIKey is ZFPQKVHSZAEVNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-10-5-11(8-16-7-10)13(18)17-9-12(15)6-14(2,3)4/h5,7-8,12H,6,9,15H2,1-4H3,(H,17,18).
What are the key properties of N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide?
N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide has a molecular weight of 249.36 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 107158461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).