N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide

C13H11ClN4O2 — CID 62234924

IUPACN-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
SMILESNC(=O)Nc1cccc(NC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C13H11ClN4O2/c14-11-6-2-5-10(18-11)12(19)16-8-3-1-4-9(7-8)17-13(15)20/h1-7H,(H,16,19)(H3,15,17,20)
InChIKeyNVICJKYFWDMNAO-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.48
Rot. Bonds3

About N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide

N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide (PubChem CID 62234924) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
PubChem CID62234924
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC NameN-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide
SMILESNC(=O)Nc1cccc(NC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C13H11ClN4O2/c14-11-6-2-5-10(18-11)12(19)16-8-3-1-4-9(7-8)17-13(15)20/h1-7H,(H,16,19)(H3,15,17,20)
InChIKeyNVICJKYFWDMNAO-UHFFFAOYSA-N
XLogP2.48
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-N-(3-iodophenyl)pyridine-2-carboxamide
CID 55052347
6-chloro-N-(3-ethynylphenyl)pyridine-2-carboxamide
CID 62233805
2-[3-[(6-chloropyridine-2-carbonyl)amino]phenyl]acetic acid
CID 65345876
N-[4-(2-amino-2-oxoethyl)phenyl]-6-chloropyridine-2-carboxamide
CID 62233473
N-[3-(carbamoylamino)phenyl]-2,5-dichloropyridine-4-carboxamide
CID 114917801
6-chloro-N-(1,3-dioxoisoindol-5-yl)pyridine-2-carboxamide
CID 62234890
6-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 62234559
N-(3-acetamido-4-methylphenyl)-6-chloropyridine-2-carboxamide
CID 62235289
[3-(chloroamino)phenyl]urea
CID 155328094
6-chloro-N-(3-imidazol-1-ylphenyl)pyridine-2-carboxamide
CID 62235091
3-(carbamoylamino)-N-(3,4-dichlorophenyl)benzamide
CID 29201519
2-N,6-N-bis(3-sulfanylphenyl)pyridine-2,6-dicarboxamide
CID 100978561

Frequently Asked Questions

What is the IUPAC name of N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide?
The IUPAC name of N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide (CID 62234924) is N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide.
What is the SMILES notation for N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide?
The canonical SMILES for N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide is NC(=O)Nc1cccc(NC(=O)c2cccc(Cl)n2)c1.
What is the InChIKey of N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide?
The InChIKey is NVICJKYFWDMNAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c14-11-6-2-5-10(18-11)12(19)16-8-3-1-4-9(7-8)17-13(15)20/h1-7H,(H,16,19)(H3,15,17,20).
What are the key properties of N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide?
N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide has a molecular weight of 290.71 g/mol, XLogP of 2.48, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(carbamoylamino)phenyl]-6-chloropyridine-2-carboxamide is sourced from PubChem (CID 62234924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).