N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide

C22H18ClN3O2 — CID 109108144

IUPACN-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H18ClN3O2/c1-14-18(23)6-4-7-19(14)25-21(27)16-11-17(13-24-12-16)22(28)26-10-9-15-5-2-3-8-20(15)26/h2-8,11-13H,9-10H2,1H3,(H,25,27)
InChIKeyNLYGWFBNNUWCES-UHFFFAOYSA-N
MW391.86 g/mol
LogP4.50
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide

N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide (PubChem CID 109108144) has the molecular formula C22H18ClN3O2 and a molecular weight of 391.86 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
PubChem CID109108144
Molecular FormulaC22H18ClN3O2
Molecular Weight391.86 g/mol
Exact Mass391.11
IUPAC NameN-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cncc(C(=O)N2CCc3ccccc32)c1
InChIInChI=1S/C22H18ClN3O2/c1-14-18(23)6-4-7-19(14)25-21(27)16-11-17(13-24-12-16)22(28)26-10-9-15-5-2-3-8-20(15)26/h2-8,11-13H,9-10H2,1H3,(H,25,27)
InChIKeyNLYGWFBNNUWCES-UHFFFAOYSA-N
XLogP4.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-3-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109057097
N-(4-chlorophenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide
CID 109108143
N-(3-chloro-2-methylphenyl)-5-(4-methylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109104479
N-(3-chloro-2-methylphenyl)-5-(3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109236178
2,3-dihydroindol-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242383
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 109108184
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109108174
5-N-(3-chloro-2-methylphenyl)-3-N-(2-ethylphenyl)pyridine-3,5-dicarboxamide
CID 109108471
N-(3-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266318
3,4-dihydro-2H-quinolin-1-yl-[5-(2,3-dimethylanilino)-3-pyridinyl]methanone
CID 109242545
N-(5-chloro-2-methylphenyl)-4-(2,3-dihydroindole-1-carbonyl)benzamide
CID 109049544
[5-(2,5-dichloroanilino)-3-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109242444

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide (CID 109108144) is N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cncc(C(=O)N2CCc3ccccc32)c1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide?
The InChIKey is NLYGWFBNNUWCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN3O2/c1-14-18(23)6-4-7-19(14)25-21(27)16-11-17(13-24-12-16)22(28)26-10-9-15-5-2-3-8-20(15)26/h2-8,11-13H,9-10H2,1H3,(H,25,27).
What are the key properties of N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 4.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-5-(2,3-dihydroindole-1-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109108144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).