3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid

C18H16ClN3O3 — CID 70796553

IUPAC3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H16ClN3O3/c19-15-5-2-8-20-16(15)22-9-6-12(7-10-22)17(23)21-14-4-1-3-13(11-14)18(24)25/h1-6,8,11H,7,9-10H2,(H,21,23)(H,24,25)
InChIKeyWOHPQEUJPBRQAI-UHFFFAOYSA-N
MW357.80 g/mol
LogP3.21
Rot. Bonds4

About 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid

3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid (PubChem CID 70796553) has the molecular formula C18H16ClN3O3 and a molecular weight of 357.80 g/mol. Its IUPAC name is 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid
PubChem CID70796553
Molecular FormulaC18H16ClN3O3
Molecular Weight357.80 g/mol
Exact Mass357.09
IUPAC Name3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid
SMILESO=C(Nc1cccc(C(=O)O)c1)C1=CCN(c2ncccc2Cl)CC1
InChIInChI=1S/C18H16ClN3O3/c19-15-5-2-8-20-16(15)22-9-6-12(7-10-22)17(23)21-14-4-1-3-13(11-14)18(24)25/h1-6,8,11H,7,9-10H2,(H,21,23)(H,24,25)
InChIKeyWOHPQEUJPBRQAI-UHFFFAOYSA-N
XLogP3.21
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid with MolForge

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11439853
N-(4-tert-butylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11474160
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11247815
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11280957
3-[[4-(3-chloro-2-pyridinyl)benzoyl]amino]benzoic acid
CID 59673354
N-(2,2-difluoro-1,3-benzodioxol-5-yl)-1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 91407250
3-[(2-chlorobenzoyl)amino]benzoic acid;hydrochloride
CID 67246588
3-[(3-aminopyridine-2-carbonyl)amino]benzoic acid
CID 104741844
3-[(2,6-dichloropyridine-4-carbonyl)amino]benzoic acid
CID 60657143
N-[3-[4-(3-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]benzenesulfonamide
CID 55821169
3-[(2-chloro-5-pyrrolidin-1-ylsulfonylbenzoyl)amino]benzoic acid
CID 1315383
1-pyrimidin-2-yl-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11235292

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid?
The IUPAC name of 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid (CID 70796553) is 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid.
What is the SMILES notation for 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid?
The canonical SMILES for 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid is O=C(Nc1cccc(C(=O)O)c1)C1=CCN(c2ncccc2Cl)CC1.
What is the InChIKey of 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid?
The InChIKey is WOHPQEUJPBRQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3/c19-15-5-2-8-20-16(15)22-9-6-12(7-10-22)17(23)21-14-4-1-3-13(11-14)18(24)25/h1-6,8,11H,7,9-10H2,(H,21,23)(H,24,25).
What are the key properties of 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid?
3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid has a molecular weight of 357.80 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid is sourced from PubChem (CID 70796553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).