3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide

C14H13ClN4O2 — CID 104741490

IUPAC3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2ncccc2N)ccc1Cl
InChIInChI=1S/C14H13ClN4O2/c1-17-13(20)9-7-8(4-5-10(9)15)19-14(21)12-11(16)3-2-6-18-12/h2-7H,16H2,1H3,(H,17,20)(H,19,21)
InChIKeyRSOGBMZPLVEDIQ-UHFFFAOYSA-N
MW304.74 g/mol
LogP1.93
Rot. Bonds3

About 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide

3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide (PubChem CID 104741490) has the molecular formula C14H13ClN4O2 and a molecular weight of 304.74 g/mol. Its IUPAC name is 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
PubChem CID104741490
Molecular FormulaC14H13ClN4O2
Molecular Weight304.74 g/mol
Exact Mass304.07
IUPAC Name3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(NC(=O)c2ncccc2N)ccc1Cl
InChIInChI=1S/C14H13ClN4O2/c1-17-13(20)9-7-8(4-5-10(9)15)19-14(21)12-11(16)3-2-6-18-12/h2-7H,16H2,1H3,(H,17,20)(H,19,21)
InChIKeyRSOGBMZPLVEDIQ-UHFFFAOYSA-N
XLogP1.93
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.74
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

CID 154643103
CID 154643103
3-amino-N-[4-chloro-3-[dideuterio(fluoro)methyl]sulfanylphenyl]pyridine-2-carboxamide
CID 164738387
3-amino-N-[4-(carbamoylamino)phenyl]pyridine-2-carboxamide
CID 104741358
3-amino-N-(3-chloro-2-pyridinyl)pyridine-2-carboxamide
CID 103094260
N-(3-acetamido-4-fluorophenyl)-3-aminopyridine-2-carboxamide
CID 104741465
3-amino-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 104740905
2-[(3,4-dichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 53270655
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
4-[(3-aminopyridine-2-carbonyl)amino]-3,5-dichlorobenzoic acid
CID 104742777
5-chloro-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyrazine-2-carboxamide
CID 103817189
3-amino-N-(1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 104740959
3-amino-N-[2-methyl-4-(methylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 104741149

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide (CID 104741490) is 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide is CNC(=O)c1cc(NC(=O)c2ncccc2N)ccc1Cl.
What is the InChIKey of 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide?
The InChIKey is RSOGBMZPLVEDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O2/c1-17-13(20)9-7-8(4-5-10(9)15)19-14(21)12-11(16)3-2-6-18-12/h2-7H,16H2,1H3,(H,17,20)(H,19,21).
What are the key properties of 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide?
3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide has a molecular weight of 304.74 g/mol, XLogP of 1.93, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[4-chloro-3-(methylcarbamoyl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 104741490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).