5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

C16H14ClN3O4 — CID 154778714

IUPAC5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C16H14ClN3O4/c1-2-18-15(22)11-7-10(17)4-6-12(11)20-14(21)9-3-5-13(16(23)24)19-8-9/h3-8H,2H2,1H3,(H,18,22)(H,20,21)(H,23,24)
InChIKeyZSNHRRLRNOMXNR-UHFFFAOYSA-N
MW347.76 g/mol
LogP2.44
Rot. Bonds5

About 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid

5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (PubChem CID 154778714) has the molecular formula C16H14ClN3O4 and a molecular weight of 347.76 g/mol. Its IUPAC name is 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
PubChem CID154778714
Molecular FormulaC16H14ClN3O4
Molecular Weight347.76 g/mol
Exact Mass347.07
IUPAC Name5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
SMILESCCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)nc1
InChIInChI=1S/C16H14ClN3O4/c1-2-18-15(22)11-7-10(17)4-6-12(11)20-14(21)9-3-5-13(16(23)24)19-8-9/h3-8H,2H2,1H3,(H,18,22)(H,20,21)(H,23,24)
InChIKeyZSNHRRLRNOMXNR-UHFFFAOYSA-N
XLogP2.44
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.76
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(5-chloro-2-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414752
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
5-[(2-fluoro-4-methylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 43414745
N-(5-chloro-2-methylphenyl)-6-(ethylamino)pyridine-3-carboxamide
CID 62184893
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
2-(4-aminobutanoylamino)-5-chloro-N-ethylbenzamide
CID 119315753
N-(4-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 18148116
methyl 2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoate
CID 66462125
5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 63723402
5-chloro-2-[[4-(propanoylamino)benzoyl]amino]benzoic acid
CID 888716

Frequently Asked Questions

What is the IUPAC name of 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid (CID 154778714) is 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is CCNC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(C(=O)O)nc1.
What is the InChIKey of 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
The InChIKey is ZSNHRRLRNOMXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O4/c1-2-18-15(22)11-7-10(17)4-6-12(11)20-14(21)9-3-5-13(16(23)24)19-8-9/h3-8H,2H2,1H3,(H,18,22)(H,20,21)(H,23,24).
What are the key properties of 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid?
5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid has a molecular weight of 347.76 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-chloro-2-(ethylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 154778714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).