4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

C23H22N4O2 — CID 109091571

IUPAC4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(C(=O)N3CCc4ccccc43)ccn2)cc1
InChIInChI=1S/C23H22N4O2/c1-26(2)19-9-7-18(8-10-19)25-22(28)20-15-17(11-13-24-20)23(29)27-14-12-16-5-3-4-6-21(16)27/h3-11,13,15H,12,14H2,1-2H3,(H,25,28)
InChIKeyDCDOLNUJZVPKDK-UHFFFAOYSA-N
MW386.46 g/mol
LogP3.60
Rot. Bonds4

About 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109091571) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109091571
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(C(=O)N3CCc4ccccc43)ccn2)cc1
InChIInChI=1S/C23H22N4O2/c1-26(2)19-9-7-18(8-10-19)25-22(28)20-15-17(11-13-24-20)23(29)27-14-12-16-5-3-4-6-21(16)27/h3-11,13,15H,12,14H2,1-2H3,(H,25,28)
InChIKeyDCDOLNUJZVPKDK-UHFFFAOYSA-N
XLogP3.60
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109091330
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109219625
4-(3,4-dihydro-2H-quinoline-1-carbonyl)-N-(4-ethylphenyl)pyridine-2-carboxamide
CID 109091643
2-(2,3-dihydroindole-1-carbonyl)-N-phenylpyridine-4-carboxamide
CID 109090812
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
4-(azepane-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109090699
2-(2,3-dihydroindole-1-carbonyl)-N-(4-fluorophenyl)pyridine-4-carboxamide
CID 109091604
4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084059
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
N-[4-(dimethylamino)phenyl]-4-(4-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109081771
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109085439
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 109091571) is 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2cc(C(=O)N3CCc4ccccc43)ccn2)cc1.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is DCDOLNUJZVPKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-26(2)19-9-7-18(8-10-19)25-22(28)20-15-17(11-13-24-20)23(29)27-14-12-16-5-3-4-6-21(16)27/h3-11,13,15H,12,14H2,1-2H3,(H,25,28).
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 386.46 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109091571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).