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

C12H19N3O — CID 105069738

IUPAC3-amino-N-hexan-2-ylpyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccncc1N
InChIInChI=1S/C12H19N3O/c1-3-4-5-9(2)15-12(16)10-6-7-14-8-11(10)13/h6-9H,3-5,13H2,1-2H3,(H,15,16)
InChIKeyRPQVJTLGZONDTE-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.97
Rot. Bonds5

About 3-amino-N-hexan-2-ylpyridine-4-carboxamide

3-amino-N-hexan-2-ylpyridine-4-carboxamide (PubChem CID 105069738) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-amino-N-hexan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-hexan-2-ylpyridine-4-carboxamide
PubChem CID105069738
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-amino-N-hexan-2-ylpyridine-4-carboxamide
SMILESCCCCC(C)NC(=O)c1ccncc1N
InChIInChI=1S/C12H19N3O/c1-3-4-5-9(2)15-12(16)10-6-7-14-8-11(10)13/h6-9H,3-5,13H2,1-2H3,(H,15,16)
InChIKeyRPQVJTLGZONDTE-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

3-amino-N-(1-methylsulfanylpropan-2-yl)pyridine-4-carboxamide
CID 105071212
3-(methylamino)-N-octan-2-ylpyridine-4-carboxamide
CID 105069105
3-amino-N-pentylpyridine-4-carboxamide
CID 105067833
N-hexan-2-yl-3-(3-hydroxyprop-1-ynyl)pyridine-4-carboxamide
CID 66484230
N-heptan-2-yl-4-(methylamino)pyridine-3-carboxamide
CID 81240356
2-amino-3-fluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105385959
3-amino-N-[1-(4-fluorophenyl)propan-2-yl]pyridine-4-carboxamide
CID 105069963
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105069443
2-amino-N-heptan-2-ylpyridine-3-carboxamide
CID 62073629
3-amino-N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105071103
3-amino-N-(2-methylpropyl)pyridine-4-carboxamide
CID 110848376
2,3-difluoro-N-hexan-2-ylpyridine-4-carboxamide
CID 105381129

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-hexan-2-ylpyridine-4-carboxamide?
The IUPAC name of 3-amino-N-hexan-2-ylpyridine-4-carboxamide (CID 105069738) is 3-amino-N-hexan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-hexan-2-ylpyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-hexan-2-ylpyridine-4-carboxamide is CCCCC(C)NC(=O)c1ccncc1N.
What is the InChIKey of 3-amino-N-hexan-2-ylpyridine-4-carboxamide?
The InChIKey is RPQVJTLGZONDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-4-5-9(2)15-12(16)10-6-7-14-8-11(10)13/h6-9H,3-5,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-hexan-2-ylpyridine-4-carboxamide?
3-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 3-amino-N-hexan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 105069738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).