2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid

C20H18ClN5O4 — CID 90153691

IUPAC2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid
SMILESCNC(=O)c1cnc(Nc2cc(C(=O)O)ccn2)cc1Nc1ccc(Cl)cc1OC
InChIInChI=1S/C20H18ClN5O4/c1-22-19(27)13-10-24-18(26-17-7-11(20(28)29)5-6-23-17)9-15(13)25-14-4-3-12(21)8-16(14)30-2/h3-10H,1-2H3,(H,22,27)(H,28,29)(H2,23,24,25,26)
InChIKeyLKBBAUMLEGVBLP-UHFFFAOYSA-N
MW427.85 g/mol
LogP3.68
Rot. Bonds7

About 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid

2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid (PubChem CID 90153691) has the molecular formula C20H18ClN5O4 and a molecular weight of 427.85 g/mol. Its IUPAC name is 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid
PubChem CID90153691
Molecular FormulaC20H18ClN5O4
Molecular Weight427.85 g/mol
Exact Mass427.10
IUPAC Name2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid
SMILESCNC(=O)c1cnc(Nc2cc(C(=O)O)ccn2)cc1Nc1ccc(Cl)cc1OC
InChIInChI=1S/C20H18ClN5O4/c1-22-19(27)13-10-24-18(26-17-7-11(20(28)29)5-6-23-17)9-15(13)25-14-4-3-12(21)8-16(14)30-2/h3-10H,1-2H3,(H,22,27)(H,28,29)(H2,23,24,25,26)
InChIKeyLKBBAUMLEGVBLP-UHFFFAOYSA-N
XLogP3.68
TPSA125.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.85
LogP ≤ 53.68
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid with MolForge

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Related Compounds

4-[[2-[(5-fluoro-2-pyridinyl)amino]-5-(methylcarbamoyl)-4-pyridinyl]amino]-3-methoxybenzoic acid
CID 90154018
2-[4-chloro-2-(trifluoromethyl)anilino]pyridine-4-carboxylic acid
CID 28537506
6-[(2,6-dimethylpyrimidin-4-yl)amino]-4-[(2-methoxy-3-pyridinyl)amino]-N-methylpyridine-3-carboxamide
CID 90153800
4-[(4-chloro-3-methoxy-2-pyridinyl)amino]-6-(cyclopropanecarbonylamino)-N-methylpyridine-3-carboxamide
CID 176564150
3-methoxy-4-[[4-(methylamino)pyrimidin-2-yl]amino]benzoic acid
CID 58539060
2-[[5-amino-2-(4-amino-2-methoxyanilino)-4-pyridinyl]amino]-N-methylbenzamide
CID 89162964
2-(5-chloro-2-methoxyanilino)-N-(4-methylphenyl)pyridine-4-carboxamide
CID 109176285
2-(5-chloro-2-methoxyanilino)-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 109177361
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide
CID 25071287
3-methoxy-N,N-dimethyl-4-[[4-[2-(methylcarbamoyl)anilino]-5-(trifluoromethyl)-2-pyridinyl]amino]benzamide;2,2,2-trifluoroacetic acid
CID 117074531
N-(5-chloro-2-methoxyphenyl)-2-(3,4-difluoroanilino)pyridine-4-carboxamide
CID 109177834
N-(4-acetylphenyl)-2-(5-chloro-2-methoxyanilino)pyridine-4-carboxamide
CID 109177842

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid (CID 90153691) is 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid is CNC(=O)c1cnc(Nc2cc(C(=O)O)ccn2)cc1Nc1ccc(Cl)cc1OC.
What is the InChIKey of 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid?
The InChIKey is LKBBAUMLEGVBLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O4/c1-22-19(27)13-10-24-18(26-17-7-11(20(28)29)5-6-23-17)9-15(13)25-14-4-3-12(21)8-16(14)30-2/h3-10H,1-2H3,(H,22,27)(H,28,29)(H2,23,24,25,26).
What are the key properties of 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid?
2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid has a molecular weight of 427.85 g/mol, XLogP of 3.68, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(4-chloro-2-methoxyanilino)-5-(methylcarbamoyl)-2-pyridinyl]amino]pyridine-4-carboxylic acid is sourced from PubChem (CID 90153691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).