2-amino-N-hexan-2-ylpyridine-4-carboxamide

C12H19N3O — CID 62201408

IUPAC2-amino-N-hexan-2-ylpyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccnc(N)c1
InChIInChI=1S/C12H19N3O/c1-3-4-5-9(2)15-12(16)10-6-7-14-11(13)8-10/h6-9H,3-5H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyQAIKPGMYILZYJM-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds5

About 2-amino-N-hexan-2-ylpyridine-4-carboxamide

2-amino-N-hexan-2-ylpyridine-4-carboxamide (PubChem CID 62201408) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-amino-N-hexan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-hexan-2-ylpyridine-4-carboxamide
PubChem CID62201408
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-amino-N-hexan-2-ylpyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccnc(N)c1
InChIInChI=1S/C12H19N3O/c1-3-4-5-9(2)15-12(16)10-6-7-14-11(13)8-10/h6-9H,3-5H2,1-2H3,(H2,13,14)(H,15,16)
InChIKeyQAIKPGMYILZYJM-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-heptan-2-ylpyridine-4-carboxamide
CID 60716706
2-amino-N-(3-methylpentan-2-yl)pyridine-4-carboxamide
CID 62160554
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
N-(5-hydroxypentan-2-yl)-2-methylpyridine-4-carboxamide
CID 106753439
2-amino-N-[1-(dimethylamino)-3-methylbutan-2-yl]pyridine-4-carboxamide
CID 55041620
N-hexan-2-yl-4-hydrazinylpyridine-2-carboxamide
CID 62237642
3-amino-4-ethoxy-N-octan-2-ylbenzamide
CID 61476185
N-[(2R)-1-aminopropan-2-yl]-2-methylpyridine-4-carboxamide
CID 106753746
2-amino-N-[2-(dimethylamino)propyl]pyridine-4-carboxamide
CID 62161100
4-amino-N-hexan-2-yl-3-(trifluoromethyl)benzamide
CID 62199911
N-(4-aminobutan-2-yl)-2-methylpyridine-4-carboxamide
CID 106752319
N-hexan-2-yl-4-hydrazinyl-3-methylbenzamide
CID 63211510

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-hexan-2-ylpyridine-4-carboxamide?
The IUPAC name of 2-amino-N-hexan-2-ylpyridine-4-carboxamide (CID 62201408) is 2-amino-N-hexan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 2-amino-N-hexan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 2-amino-N-hexan-2-ylpyridine-4-carboxamide is CCCCC(C)NC(=O)c1ccnc(N)c1.
What is the InChIKey of 2-amino-N-hexan-2-ylpyridine-4-carboxamide?
The InChIKey is QAIKPGMYILZYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-5-9(2)15-12(16)10-6-7-14-11(13)8-10/h6-9H,3-5H2,1-2H3,(H2,13,14)(H,15,16).
What are the key properties of 2-amino-N-hexan-2-ylpyridine-4-carboxamide?
2-amino-N-hexan-2-ylpyridine-4-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-hexan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 62201408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).