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

C20H24N4O2 — CID 109084059

IUPAC4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C20H24N4O2/c1-23(2)12-5-10-22-19(25)17-14-16(8-11-21-17)20(26)24-13-9-15-6-3-4-7-18(15)24/h3-4,6-8,11,14H,5,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyIWWYROYLVNBIFB-UHFFFAOYSA-N
MW352.44 g/mol
LogP1.97
Rot. Bonds6

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

4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (PubChem CID 109084059) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
PubChem CID109084059
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
SMILESCN(C)CCCNC(=O)c1cc(C(=O)N2CCc3ccccc32)ccn1
InChIInChI=1S/C20H24N4O2/c1-23(2)12-5-10-22-19(25)17-14-16(8-11-21-17)20(26)24-13-9-15-6-3-4-7-18(15)24/h3-4,6-8,11,14H,5,9-10,12-13H2,1-2H3,(H,22,25)
InChIKeyIWWYROYLVNBIFB-UHFFFAOYSA-N
XLogP1.97
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109083923
N-benzyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109085439
4-(2,3-dihydroindole-1-carbonyl)-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109087630
N-tert-butyl-4-(2,3-dihydroindole-1-carbonyl)pyridine-2-carboxamide
CID 109089256
4-(azepane-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide
CID 109084053
4-(2,3-dihydroindole-1-carbonyl)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109086940
4-(2,3-dihydroindole-1-carbonyl)-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 109091571
4-(2,3-dihydroindole-1-carbonyl)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109091330
2-(2,3-dihydroindole-1-carbonyl)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109087717
3-[[4-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]methyl]-1,1-dimethylurea
CID 112532223
[2-(2,3-dihydroindole-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109087851
[2-(azepane-1-carbonyl)-4-pyridinyl]-(2,3-dihydroindol-1-yl)methanone
CID 109090729

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The IUPAC name of 4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide (CID 109084059) is 4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide is CN(C)CCCNC(=O)c1cc(C(=O)N2CCc3ccccc32)ccn1.
What is the InChIKey of 4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
The InChIKey is IWWYROYLVNBIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-23(2)12-5-10-22-19(25)17-14-16(8-11-21-17)20(26)24-13-9-15-6-3-4-7-18(15)24/h3-4,6-8,11,14H,5,9-10,12-13H2,1-2H3,(H,22,25).
What are the key properties of 4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide?
4-(2,3-dihydroindole-1-carbonyl)-N-[3-(dimethylamino)propyl]pyridine-2-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 1.97, 6 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-[3-(dimethylamino)propyl]pyridine-2-carboxamide is sourced from PubChem (CID 109084059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).