5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide

C10H13ClN4O2 — CID 114046062

IUPAC5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C10H13ClN4O2/c1-5(2-8(13)16)15-10(17)7-3-6(12)4-14-9(7)11/h3-5H,2,12H2,1H3,(H2,13,16)(H,15,17)
InChIKeyBPPKZBRTRTVIBY-UHFFFAOYSA-N
MW256.69 g/mol
LogP0.31
Rot. Bonds4

About 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide

5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide (PubChem CID 114046062) has the molecular formula C10H13ClN4O2 and a molecular weight of 256.69 g/mol. Its IUPAC name is 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide
PubChem CID114046062
Molecular FormulaC10H13ClN4O2
Molecular Weight256.69 g/mol
Exact Mass256.07
IUPAC Name5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide
SMILESCC(CC(N)=O)NC(=O)c1cc(N)cnc1Cl
InChIInChI=1S/C10H13ClN4O2/c1-5(2-8(13)16)15-10(17)7-3-6(12)4-14-9(7)11/h3-5H,2,12H2,1H3,(H2,13,16)(H,15,17)
InChIKeyBPPKZBRTRTVIBY-UHFFFAOYSA-N
XLogP0.31
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.69
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-4-oxobutan-2-yl)-5-bromo-2-chloropyridine-3-carboxamide
CID 115664789
methyl 3-[(5-amino-2-chloropyridine-3-carbonyl)amino]-2-hydroxypropanoate
CID 114046104
methyl 5-amino-2-[(4-amino-4-oxobutan-2-yl)amino]pyridine-3-carboxylate
CID 114047408
5-amino-N-(4-amino-4-oxobutan-2-yl)-2-fluoro-3-methylbenzamide
CID 103296858
5-amino-2-methyl-N-pentan-2-ylpyridine-3-carboxamide
CID 61040311
N-(4-amino-4-oxobutan-2-yl)-6-chloropyridine-3-carboxamide
CID 115664808
5-amino-2-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 106259566
N-(4-amino-4-oxobutan-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 115664810
2-amino-N-(4-amino-4-oxobutan-2-yl)-5-hydroxybenzamide
CID 102739283
5-amino-2-chloro-N-(cyclopentylmethyl)pyridine-3-carboxamide
CID 114045919
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
N-(4-amino-4-oxobutan-2-yl)-2,5-dihydroxybenzamide
CID 107723793

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide?
The IUPAC name of 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide (CID 114046062) is 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide.
What is the SMILES notation for 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide?
The canonical SMILES for 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide is CC(CC(N)=O)NC(=O)c1cc(N)cnc1Cl.
What is the InChIKey of 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide?
The InChIKey is BPPKZBRTRTVIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2/c1-5(2-8(13)16)15-10(17)7-3-6(12)4-14-9(7)11/h3-5H,2,12H2,1H3,(H2,13,16)(H,15,17).
What are the key properties of 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide?
5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide has a molecular weight of 256.69 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-amino-4-oxobutan-2-yl)-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 114046062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).