8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide

C23H20ClN5O2 — CID 176510169

IUPAC8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc3c(Cl)cccn3c2)c1
InChIInChI=1S/C23H20ClN5O2/c1-14-6-3-4-8-18(14)27-21-19(10-15(12-26-21)22(30)25-2)28-23(31)16-11-20-17(24)7-5-9-29(20)13-16/h3-13H,1-2H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyJEFSQFVVPBHITA-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.65
Rot. Bonds5

About 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide

8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide (PubChem CID 176510169) has the molecular formula C23H20ClN5O2 and a molecular weight of 433.90 g/mol. Its IUPAC name is 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide.

Molecular Properties

Compound Name8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
PubChem CID176510169
Molecular FormulaC23H20ClN5O2
Molecular Weight433.90 g/mol
Exact Mass433.13
IUPAC Name8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc3c(Cl)cccn3c2)c1
InChIInChI=1S/C23H20ClN5O2/c1-14-6-3-4-8-18(14)27-21-19(10-15(12-26-21)22(30)25-2)28-23(31)16-11-20-17(24)7-5-9-29(20)13-16/h3-13H,1-2H3,(H,25,30)(H,26,27)(H,28,31)
InChIKeyJEFSQFVVPBHITA-UHFFFAOYSA-N
XLogP4.65
TPSA87.53 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(4-fluoro-3,5-dimethylbenzoyl)amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512340
4-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]quinoline-2-carboxamide
CID 176510143
3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 176510148
N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-5-(trifluoromethyl)imidazo[1,2-a]pyridine-2-carboxamide
CID 176510121
ethane;3-methyl-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]isoquinoline-1-carboxamide
CID 167512246
5-[[2-ethenyl-4-fluoro-3-[(Z)-prop-1-enyl]-1,2-dihydroimidazole-5-carbonyl]amino]-N-methyl-6-(2-methylanilino)pyridine-3-carboxamide
CID 167512347
5-bromo-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]-1H-indazole-3-carboxamide
CID 176510201
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
N-methyl-6-(2-methylanilino)-5-(2-phenylhex-4-ynoylamino)pyridine-3-carboxamide
CID 176510162
2-(3,4-dichloroanilino)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109265360
5-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]-6-(2-methylanilino)-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 167512259
ethane;6-(2-methylanilino)-5-(prop-1-en-2-ylamino)pyridine-3-carboxamide
CID 167512450

Frequently Asked Questions

What is the IUPAC name of 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide?
The IUPAC name of 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide (CID 176510169) is 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide.
What is the SMILES notation for 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide?
The canonical SMILES for 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide is CNC(=O)c1cnc(Nc2ccccc2C)c(NC(=O)c2cc3c(Cl)cccn3c2)c1.
What is the InChIKey of 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide?
The InChIKey is JEFSQFVVPBHITA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN5O2/c1-14-6-3-4-8-18(14)27-21-19(10-15(12-26-21)22(30)25-2)28-23(31)16-11-20-17(24)7-5-9-29(20)13-16/h3-13H,1-2H3,(H,25,30)(H,26,27)(H,28,31).
What are the key properties of 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide?
8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.65, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-N-[2-(2-methylanilino)-5-(methylcarbamoyl)-3-pyridinyl]indolizine-2-carboxamide is sourced from PubChem (CID 176510169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).