N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide

C21H18ClN3O2 — CID 109219601

IUPACN-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N3CCc4ccccc43)ccn2)cc1Cl
InChIInChI=1S/C21H18ClN3O2/c1-27-20-7-6-15(12-17(20)22)24-21(26)18-13-16(8-10-23-18)25-11-9-14-4-2-3-5-19(14)25/h2-8,10,12-13H,9,11H2,1H3,(H,24,26)
InChIKeyIZIRKWWTAKFDFI-UHFFFAOYSA-N
MW379.85 g/mol
LogP4.69
Rot. Bonds4

About N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide

N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide (PubChem CID 109219601) has the molecular formula C21H18ClN3O2 and a molecular weight of 379.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
PubChem CID109219601
Molecular FormulaC21H18ClN3O2
Molecular Weight379.85 g/mol
Exact Mass379.11
IUPAC NameN-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(N3CCc4ccccc43)ccn2)cc1Cl
InChIInChI=1S/C21H18ClN3O2/c1-27-20-7-6-15(12-17(20)22)24-21(26)18-13-16(8-10-23-18)25-11-9-14-4-2-3-5-19(14)25/h2-8,10,12-13H,9,11H2,1H3,(H,24,26)
InChIKeyIZIRKWWTAKFDFI-UHFFFAOYSA-N
XLogP4.69
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109219625
N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219632
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-5-carboxamide
CID 109266324
[4-(3-chloro-4-methoxyanilino)-2-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109219532
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
4-N-(3-chloro-4-methoxyphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109090928
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219720
4-(3-chloro-4-methoxyanilino)-N-phenylpyridine-2-carboxamide
CID 109218768
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109203323
6-(2,3-dihydroindol-1-yl)-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 109356545
N-(4-chloro-2-methoxy-5-methylphenyl)-5-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109197861
4-(4-chloroanilino)-N-(3-chloro-4-methoxyphenyl)pyridine-2-carboxamide
CID 109221059

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide (CID 109219601) is N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(N3CCc4ccccc43)ccn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide?
The InChIKey is IZIRKWWTAKFDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O2/c1-27-20-7-6-15(12-17(20)22)24-21(26)18-13-16(8-10-23-18)25-11-9-14-4-2-3-5-19(14)25/h2-8,10,12-13H,9,11H2,1H3,(H,24,26).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide?
N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109219601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).