4-(pyridin-3-ylcarbamoylamino)benzamide

C13H12N4O2 — CID 47129704

IUPAC4-(pyridin-3-ylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H12N4O2/c14-12(18)9-3-5-10(6-4-9)16-13(19)17-11-2-1-7-15-8-11/h1-8H,(H2,14,18)(H2,16,17,19)
InChIKeyYSSVQTZJJSVBDQ-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.82
Rot. Bonds3

About 4-(pyridin-3-ylcarbamoylamino)benzamide

4-(pyridin-3-ylcarbamoylamino)benzamide (PubChem CID 47129704) has the molecular formula C13H12N4O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 4-(pyridin-3-ylcarbamoylamino)benzamide.

Molecular Properties

Compound Name4-(pyridin-3-ylcarbamoylamino)benzamide
PubChem CID47129704
Molecular FormulaC13H12N4O2
Molecular Weight256.27 g/mol
Exact Mass256.10
IUPAC Name4-(pyridin-3-ylcarbamoylamino)benzamide
SMILESNC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1
InChIInChI=1S/C13H12N4O2/c14-12(18)9-3-5-10(6-4-9)16-13(19)17-11-2-1-7-15-8-11/h1-8H,(H2,14,18)(H2,16,17,19)
InChIKeyYSSVQTZJJSVBDQ-UHFFFAOYSA-N
XLogP1.82
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-yl-3-[4-[4-(pyridin-3-ylcarbamoylamino)phenyl]phenyl]urea
CID 23996528
1-(4-methylphenyl)-3-pyridin-3-ylurea
CID 790714
4-(carbamoylamino)-N-pyridin-3-ylbenzamide
CID 13387851
1-(4-methylsulfanylphenyl)-3-pyridin-3-ylurea
CID 15549386
1-(6-methyl-3-pyridinyl)-3-pyridin-3-ylurea
CID 108865035
1,3-bis[[4-(pyridin-3-ylcarbamoylamino)phenyl]methyl]urea
CID 135869753
2-(4-carbamoylanilino)-N-pyridin-3-ylbenzamide
CID 163309934
N-(4-acetylphenyl)-N'-pyridin-3-yloxamide
CID 108514790
1-(3,4-difluorophenyl)-3-pyridin-3-ylurea
CID 24535904
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764
1-(N'-tert-butylcarbamimidoyl)-3-pyridin-3-ylurea
CID 70456930
4-(cyclopropylcarbamoylamino)-N-pyridin-3-ylbenzamide
CID 39890660

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-3-ylcarbamoylamino)benzamide?
The IUPAC name of 4-(pyridin-3-ylcarbamoylamino)benzamide (CID 47129704) is 4-(pyridin-3-ylcarbamoylamino)benzamide.
What is the SMILES notation for 4-(pyridin-3-ylcarbamoylamino)benzamide?
The canonical SMILES for 4-(pyridin-3-ylcarbamoylamino)benzamide is NC(=O)c1ccc(NC(=O)Nc2cccnc2)cc1.
What is the InChIKey of 4-(pyridin-3-ylcarbamoylamino)benzamide?
The InChIKey is YSSVQTZJJSVBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c14-12(18)9-3-5-10(6-4-9)16-13(19)17-11-2-1-7-15-8-11/h1-8H,(H2,14,18)(H2,16,17,19).
What are the key properties of 4-(pyridin-3-ylcarbamoylamino)benzamide?
4-(pyridin-3-ylcarbamoylamino)benzamide has a molecular weight of 256.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-3-ylcarbamoylamino)benzamide is sourced from PubChem (CID 47129704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).