4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide

C15H15ClN4O3 — CID 170570464

IUPAC4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide
SMILESCC(C(N)=O)n1cccc(NC(=O)c2ccc(N)c(Cl)c2)c1=O
InChIInChI=1S/C15H15ClN4O3/c1-8(13(18)21)20-6-2-3-12(15(20)23)19-14(22)9-4-5-11(17)10(16)7-9/h2-8H,17H2,1H3,(H2,18,21)(H,19,22)
InChIKeyQNSCSDCMLIVTQA-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.38
Rot. Bonds4

About 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide

4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide (PubChem CID 170570464) has the molecular formula C15H15ClN4O3 and a molecular weight of 334.76 g/mol. Its IUPAC name is 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide.

Molecular Properties

Compound Name4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide
PubChem CID170570464
Molecular FormulaC15H15ClN4O3
Molecular Weight334.76 g/mol
Exact Mass334.08
IUPAC Name4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide
SMILESCC(C(N)=O)n1cccc(NC(=O)c2ccc(N)c(Cl)c2)c1=O
InChIInChI=1S/C15H15ClN4O3/c1-8(13(18)21)20-6-2-3-12(15(20)23)19-14(22)9-4-5-11(17)10(16)7-9/h2-8H,17H2,1H3,(H2,18,21)(H,19,22)
InChIKeyQNSCSDCMLIVTQA-UHFFFAOYSA-N
XLogP1.38
TPSA120.21 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-[[2-[3-[(4-amino-3-chlorobenzoyl)amino]-2-oxo-1-pyridinyl]propanoylamino]-[(E)-4-(benzylamino)-4-oxobut-2-enoyl]amino]acetate
CID 170382208
4-amino-N-(3-bromo-2-methylphenyl)-3-chlorobenzamide
CID 107623927
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
4-amino-3-chloro-N-(1,3-dimethylpyrazol-4-yl)benzamide
CID 102803289
4-amino-3-chloro-N-(3,5-dichloro-4-fluorophenyl)benzamide
CID 107571216
N-[1-(1-amino-1-oxobutan-2-yl)-2-oxo-3-pyridinyl]furan-3-carboxamide
CID 141104537
4-amino-3-chloro-N-(3,3-dimethylbutan-2-yl)benzamide
CID 113457632
4-amino-3-chloro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79769352
3,5-dichloro-N-(1-methyl-2-oxo-3-pyridinyl)benzamide
CID 86768884
N-(4-amino-5-chloro-2-methylphenyl)-3,4-dichlorobenzamide
CID 104667459
(2S)-2-[(4-amino-3-chlorobenzoyl)amino]-4-methylpentanoic acid
CID 59813104
4-amino-3-chloro-N',N'-dimethylbenzohydrazide
CID 83013508

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide?
The IUPAC name of 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide (CID 170570464) is 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide.
What is the SMILES notation for 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide?
The canonical SMILES for 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide is CC(C(N)=O)n1cccc(NC(=O)c2ccc(N)c(Cl)c2)c1=O.
What is the InChIKey of 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide?
The InChIKey is QNSCSDCMLIVTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O3/c1-8(13(18)21)20-6-2-3-12(15(20)23)19-14(22)9-4-5-11(17)10(16)7-9/h2-8H,17H2,1H3,(H2,18,21)(H,19,22).
What are the key properties of 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide?
4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide has a molecular weight of 334.76 g/mol, XLogP of 1.38, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(1-amino-1-oxopropan-2-yl)-2-oxo-3-pyridinyl]-3-chlorobenzamide is sourced from PubChem (CID 170570464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).