5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid

C20H14ClN3O3 — CID 142865834

IUPAC5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid
SMILES[H]/N=C(\c1cccnc1)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C20H14ClN3O3/c21-15-6-7-17(16(10-15)20(26)27)24-19(25)13-4-1-3-12(9-13)18(22)14-5-2-8-23-11-14/h1-11,22H,(H,24,25)(H,26,27)/b22-18-
InChIKeyMRCSYVMHVDMMTP-PYCFMQQDSA-N
MW379.80 g/mol
LogP4.10
Rot. Bonds5

About 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid

5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid (PubChem CID 142865834) has the molecular formula C20H14ClN3O3 and a molecular weight of 379.80 g/mol. Its IUPAC name is 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid.

Molecular Properties

Compound Name5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid
PubChem CID142865834
Molecular FormulaC20H14ClN3O3
Molecular Weight379.80 g/mol
Exact Mass379.07
IUPAC Name5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid
SMILES[H]/N=C(\c1cccnc1)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1
InChIInChI=1S/C20H14ClN3O3/c21-15-6-7-17(16(10-15)20(26)27)24-19(25)13-4-1-3-12(9-13)18(22)14-5-2-8-23-11-14/h1-11,22H,(H,24,25)(H,26,27)/b22-18-
InChIKeyMRCSYVMHVDMMTP-PYCFMQQDSA-N
XLogP4.10
TPSA103.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.80
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-(pyridine-3-carbonylamino)benzoic acid
CID 16772480
N-[3-[(5-chloro-2-fluorobenzoyl)amino]phenyl]pyridine-3-carboxamide
CID 39188175
5-chloro-2-[(5,6-dichloropyridine-3-carbonyl)amino]benzoic acid
CID 43092327
5-chloro-2-[(2,6-dichlorobenzoyl)amino]benzoic acid
CID 10427632
N-[4-chloro-2-[(R)-hydroxy(phenyl)methyl]phenyl]pyridine-3-carboxamide
CID 95733609
N-(2-chloro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64787918
2-[(6-bromopyridine-3-carbonyl)amino]-5-chlorobenzoic acid
CID 66468610
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
2-[(4-aminobenzoyl)amino]-5-chlorobenzoic acid
CID 61158573
2-[(4-bromobenzoyl)amino]-5-chlorobenzoic acid
CID 9320346
N-[4-chloro-2-[[(E)-(3-fluorophenyl)methylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 23107976
N-[4-chloro-2-[[(E)-1-(4-methylphenyl)ethylideneamino]carbamoyl]phenyl]pyridine-3-carboxamide
CID 58712775

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid?
The IUPAC name of 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid (CID 142865834) is 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid.
What is the SMILES notation for 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid?
The canonical SMILES for 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid is [H]/N=C(\c1cccnc1)c1cccc(C(=O)Nc2ccc(Cl)cc2C(=O)O)c1.
What is the InChIKey of 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid?
The InChIKey is MRCSYVMHVDMMTP-PYCFMQQDSA-N. The full InChI is InChI=1S/C20H14ClN3O3/c21-15-6-7-17(16(10-15)20(26)27)24-19(25)13-4-1-3-12(9-13)18(22)14-5-2-8-23-11-14/h1-11,22H,(H,24,25)(H,26,27)/b22-18-.
What are the key properties of 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid?
5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid has a molecular weight of 379.80 g/mol, XLogP of 4.10, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[[3-(pyridine-3-carboximidoyl)benzoyl]amino]benzoic acid is sourced from PubChem (CID 142865834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).