2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide

C12H19N3O — CID 62160554

IUPAC2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)C(C)NC(=O)c1ccnc(N)c1
InChIInChI=1S/C12H19N3O/c1-4-8(2)9(3)15-12(16)10-5-6-14-11(13)7-10/h5-9H,4H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyVCKGDOTXRBVOEA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.83
Rot. Bonds4

About 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide

2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide (PubChem CID 62160554) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
PubChem CID62160554
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
SMILESCCC(C)C(C)NC(=O)c1ccnc(N)c1
InChIInChI=1S/C12H19N3O/c1-4-8(2)9(3)15-12(16)10-5-6-14-11(13)7-10/h5-9H,4H2,1-3H3,(H2,13,14)(H,15,16)
InChIKeyVCKGDOTXRBVOEA-UHFFFAOYSA-N
XLogP1.83
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 114326347
2-amino-N-hexan-2-ylpyridine-4-carboxamide
CID 62201408
4-amino-3-methyl-N-(3-methylpentan-2-yl)benzamide
CID 54950141
(2S)-2-[[2-(aminomethyl)pyridine-4-carbonyl]amino]-3-methylpentanoic acid
CID 114326241
3,5-diamino-N-(3-methylpentan-2-yl)benzamide
CID 54950045
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
2-amino-N-(1-thiophen-2-ylpropyl)pyridine-4-carboxamide
CID 62159520
2-amino-N-[2-(dimethylamino)propyl]pyridine-4-carboxamide
CID 62161100
methyl 2-[(2-chloropyridine-4-carbonyl)amino]-3-methylpentanoate
CID 60716809
4-amino-3,5-dichloro-N-(3-methylpentan-2-yl)benzamide
CID 82833286
3-ethoxy-N-[(2S,3R)-3-methylpentan-2-yl]benzamide
CID 91023998
2-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 62328427

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide (CID 62160554) is 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide is CCC(C)C(C)NC(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide?
The InChIKey is VCKGDOTXRBVOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-4-8(2)9(3)15-12(16)10-5-6-14-11(13)7-10/h5-9H,4H2,1-3H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide?
2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide is sourced from PubChem (CID 62160554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).