4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide

C9H12N4O2 — CID 81243304

IUPAC4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnccc1N)C(N)=O
InChIInChI=1S/C9H12N4O2/c1-5(8(11)14)13-9(15)6-4-12-3-2-7(6)10/h2-5H,1H3,(H2,10,12)(H2,11,14)(H,13,15)
InChIKeyLBYLUQWRTQCDRW-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.73
Rot. Bonds3

About 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide

4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide (PubChem CID 81243304) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide
PubChem CID81243304
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cnccc1N)C(N)=O
InChIInChI=1S/C9H12N4O2/c1-5(8(11)14)13-9(15)6-4-12-3-2-7(6)10/h2-5H,1H3,(H2,10,12)(H2,11,14)(H,13,15)
InChIKeyLBYLUQWRTQCDRW-UHFFFAOYSA-N
XLogP-0.73
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-amino-1-oxopropan-2-yl]-3-bromopyridine-4-carboxamide
CID 131186254
N-(1-amino-1-oxopropan-2-yl)-3-chloropyridine-4-carboxamide
CID 66464223
4-amino-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81240748
4-amino-N-[1-(dimethylamino)propan-2-yl]pyridine-3-carboxamide
CID 82950592
4-amino-N-(4,4,4-trifluorobutan-2-yl)pyridine-3-carboxamide
CID 114131524
methyl (2R)-2-[[4-[3-[[(2R)-1-methoxy-1-oxopropan-2-yl]carbamoyl]-4-pyridinyl]pyridine-3-carbonyl]amino]propanoate
CID 139180597
4-amino-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 123975381
3-amino-N-[1-(methylamino)-1-oxopropan-2-yl]pyridine-4-carboxamide
CID 105069443
N-[(2S)-1-amino-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 130166243
4-amino-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81235962
4-amino-N-[(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 81242142
4-amino-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 81235993

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide (CID 81243304) is 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide is CC(NC(=O)c1cnccc1N)C(N)=O.
What is the InChIKey of 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide?
The InChIKey is LBYLUQWRTQCDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-5(8(11)14)13-9(15)6-4-12-3-2-7(6)10/h2-5H,1H3,(H2,10,12)(H2,11,14)(H,13,15).
What are the key properties of 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide?
4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide has a molecular weight of 208.22 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(1-amino-1-oxopropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 81243304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).