N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide

C22H19N3O2 — CID 109085439

IUPACN-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C22H19N3O2/c26-21(24-15-16-6-2-1-3-7-16)19-14-18(10-12-23-19)22(27)25-13-11-17-8-4-5-9-20(17)25/h1-10,12,14H,11,13,15H2,(H,24,26)
InChIKeyUAVKDQXOSNYVCX-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.21
Rot. Bonds4

About N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide

N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109085439) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
PubChem CID109085439
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC NameN-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C22H19N3O2/c26-21(24-15-16-6-2-1-3-7-16)19-14-18(10-12-23-19)22(27)25-13-11-17-8-4-5-9-20(17)25/h1-10,12,14H,11,13,15H2,(H,24,26)
InChIKeyUAVKDQXOSNYVCX-UHFFFAOYSA-N
XLogP3.21
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109087630
4-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109086940
4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084059
2-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109087717
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
3-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)benzamide
CID 109055189
4-(4-acetylpiperazine-1-carbonyl)-N-benzylpyridine-2-carboxamide
CID 109084853
4-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109091330
2-(2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109090812
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109091571

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide (CID 109085439) is N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide is O=C(NCc1ccccc1)c1cc(C(=O)N2CCc3ccccc32)ccn1.
What is the InChIKey of N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is UAVKDQXOSNYVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c26-21(24-15-16-6-2-1-3-7-16)19-14-18(10-12-23-19)22(27)25-13-11-17-8-4-5-9-20(17)25/h1-10,12,14H,11,13,15H2,(H,24,26).
What are the key properties of N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide?
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109085439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).