3-acetyl-4-aminopyridine-2-carboxamide

C8H9N3O2 — CID 139348420

IUPAC3-acetyl-4-aminopyridine-2-carboxamide
SMILESCC(=O)c1c(N)ccnc1C(N)=O
InChIInChI=1S/C8H9N3O2/c1-4(12)6-5(9)2-3-11-7(6)8(10)13/h2-3H,1H3,(H2,9,11)(H2,10,13)
InChIKeyJHHHYINQRCLRBO-UHFFFAOYSA-N
MW179.18 g/mol
LogP-0.03
Rot. Bonds2

About 3-acetyl-4-aminopyridine-2-carboxamide

3-acetyl-4-aminopyridine-2-carboxamide (PubChem CID 139348420) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 3-acetyl-4-aminopyridine-2-carboxamide.

Molecular Properties

Compound Name3-acetyl-4-aminopyridine-2-carboxamide
PubChem CID139348420
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name3-acetyl-4-aminopyridine-2-carboxamide
SMILESCC(=O)c1c(N)ccnc1C(N)=O
InChIInChI=1S/C8H9N3O2/c1-4(12)6-5(9)2-3-11-7(6)8(10)13/h2-3H,1H3,(H2,9,11)(H2,10,13)
InChIKeyJHHHYINQRCLRBO-UHFFFAOYSA-N
XLogP-0.03
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetyl-4-(ethylamino)pyridine-2-carboxamide
CID 169256921
4-amino-3-(naphthalene-1-carbonyl)pyridine-2-carboxamide
CID 69265970
4-propan-2-ylpyridine-2,3-dicarboxamide
CID 67794907
3,4-dimethylpyridine-2-carboxamide;hydrochloride
CID 118095739
4-butan-2-ylpyridine-2,3-dicarboxamide
CID 67796914
1-(3-acetylpyrazin-2-yl)ethanone
CID 22166162
4-amino-2-methoxy-N-methylpyridine-3-carboxamide
CID 162361817
1-(2-acetyl-4,5-diamino-3-pyridinyl)ethanone
CID 70598921
1-(3,4-dimethyl-2-pyridinyl)ethanone
CID 23003457
(4-amino-2-methyl-3-pyridinyl)-phenylmethanone;hydrochloride
CID 174329112
3-propylpyridine-2,4-dicarboxamide
CID 141047751
isoquinoline-1-carboxamide;hydrochloride
CID 57458906

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-4-aminopyridine-2-carboxamide?
The IUPAC name of 3-acetyl-4-aminopyridine-2-carboxamide (CID 139348420) is 3-acetyl-4-aminopyridine-2-carboxamide.
What is the SMILES notation for 3-acetyl-4-aminopyridine-2-carboxamide?
The canonical SMILES for 3-acetyl-4-aminopyridine-2-carboxamide is CC(=O)c1c(N)ccnc1C(N)=O.
What is the InChIKey of 3-acetyl-4-aminopyridine-2-carboxamide?
The InChIKey is JHHHYINQRCLRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-4(12)6-5(9)2-3-11-7(6)8(10)13/h2-3H,1H3,(H2,9,11)(H2,10,13).
What are the key properties of 3-acetyl-4-aminopyridine-2-carboxamide?
3-acetyl-4-aminopyridine-2-carboxamide has a molecular weight of 179.18 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-4-aminopyridine-2-carboxamide is sourced from PubChem (CID 139348420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).