4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide

C22H22N4O — CID 109219625

IUPAC4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(N3CCc4ccccc43)ccn2)cc1
InChIInChI=1S/C22H22N4O/c1-25(2)18-9-7-17(8-10-18)24-22(27)20-15-19(11-13-23-20)26-14-12-16-5-3-4-6-21(16)26/h3-11,13,15H,12,14H2,1-2H3,(H,24,27)
InChIKeyZXRKOUDOIOJYTG-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.09
Rot. Bonds4

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

4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109219625) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109219625
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
SMILESCN(C)c1ccc(NC(=O)c2cc(N3CCc4ccccc43)ccn2)cc1
InChIInChI=1S/C22H22N4O/c1-25(2)18-9-7-17(8-10-18)24-22(27)20-15-19(11-13-23-20)26-14-12-16-5-3-4-6-21(16)26/h3-11,13,15H,12,14H2,1-2H3,(H,24,27)
InChIKeyZXRKOUDOIOJYTG-UHFFFAOYSA-N
XLogP4.09
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.09
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-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109091571
N-(1,3-benzodioxol-5-yl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219632
4-(3,4-dihydro-2H-quinolin-1-yl)-N-phenylpyridine-2-carboxamide
CID 109218742
N-(3-chloro-4-methoxyphenyl)-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109219601
N-(3-acetamidophenyl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219711
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(3,4-dihydro-2H-quinolin-1-yl)pyridine-2-carboxamide
CID 109219720
N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208975
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)pyridine-2-carboxamide
CID 109203323
4-(2,3-dihydroindol-1-yl)-N-[(4-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210448
[4-(2,3-dihydroindol-1-yl)-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203702
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109219730
4-(2,3-dihydroindol-1-yl)-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210211

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide (CID 109219625) is 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is CN(C)c1ccc(NC(=O)c2cc(N3CCc4ccccc43)ccn2)cc1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is ZXRKOUDOIOJYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-25(2)18-9-7-17(8-10-18)24-22(27)20-15-19(11-13-23-20)26-14-12-16-5-3-4-6-21(16)26/h3-11,13,15H,12,14H2,1-2H3,(H,24,27).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide?
4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109219625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).