N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide

C12H19N3O — CID 66092534

IUPACN-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(C)CCN)c1
InChIInChI=1S/C12H19N3O/c1-9(3-4-13)7-15-12(16)11-5-10(2)6-14-8-11/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,15,16)
InChIKeyKPASYJJLAXPTDL-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.10
Rot. Bonds5

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

N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide (PubChem CID 66092534) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
PubChem CID66092534
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC NameN-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC(C)CCN)c1
InChIInChI=1S/C12H19N3O/c1-9(3-4-13)7-15-12(16)11-5-10(2)6-14-8-11/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,15,16)
InChIKeyKPASYJJLAXPTDL-UHFFFAOYSA-N
XLogP1.10
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-4,4-dimethylpentyl)-5-methylpyridine-3-carboxamide
CID 107158461
N-[2-(2-hydroxypropylamino)ethyl]-5-methylpyridine-3-carboxamide
CID 104593590
N-(4-amino-2-methylbutyl)-4-hydroxybenzamide
CID 66089978
N-(2-bromo-3-methoxypropyl)-5-methylpyridine-3-carboxamide
CID 114310132
N-[2-(2,6-difluorophenyl)-2-hydroxyethyl]-5-methylpyridine-3-carboxamide
CID 111478300
N-(4-amino-2-methylbutyl)-4-propan-2-ylbenzamide
CID 66090894
N-[2,2-dimethyl-3-[(5-methylpyridine-3-carbonyl)amino]propyl]-5-methylpyridine-3-carboxamide
CID 71994778
N-[2-hydroxy-2-(2-methylphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477571
5-bromo-N-(3-bromo-2-methylpropyl)pyridine-3-carboxamide
CID 114313414
5-methyl-N-[(E)-pent-2-enyl]pyridine-3-carboxamide
CID 178011201
N-(4-amino-2-methylbutyl)-2,5-dimethylfuran-3-carboxamide
CID 66089287
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide?
The IUPAC name of N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide (CID 66092534) is N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide is Cc1cncc(C(=O)NCC(C)CCN)c1.
What is the InChIKey of N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide?
The InChIKey is KPASYJJLAXPTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(3-4-13)7-15-12(16)11-5-10(2)6-14-8-11/h5-6,8-9H,3-4,7,13H2,1-2H3,(H,15,16).
What are the key properties of N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide?
N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.10, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-methylbutyl)-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 66092534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).