6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide

C23H26N4O2 — CID 134134412

IUPAC6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C#N)cc3c2CCN3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C23H26N4O2/c1-14-9-15(2)26-23(29)20(14)13-25-22(28)19-10-16(12-24)11-21-18(19)7-8-27(21)17-5-3-4-6-17/h9-11,17H,3-8,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWEWUYFKALGFFAR-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.10
Rot. Bonds4

About 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide

6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 134134412) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide
PubChem CID134134412
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(C#N)cc3c2CCN3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C23H26N4O2/c1-14-9-15(2)26-23(29)20(14)13-25-22(28)19-10-16(12-24)11-21-18(19)7-8-27(21)17-5-3-4-6-17/h9-11,17H,3-8,13H2,1-2H3,(H,25,28)(H,26,29)
InChIKeyWEWUYFKALGFFAR-UHFFFAOYSA-N
XLogP3.10
TPSA88.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methyl-5-(2-methylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 86763480
5-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 155965417
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-3-piperidin-1-ylbenzamide
CID 90150987
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]indazole-6-carboxamide
CID 127029640
5-chloro-3-[cyclopentylmethyl(methyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 90150984
5-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-(2,5-dioxopyrrolidin-1-yl)-2-methylbenzamide
CID 70913209
3-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176500545
5-chloro-3-[cyclohexyl(ethyl)amino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 66576312
3-[[4-(dimethylamino)cyclohexyl]-ethylamino]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-5-[2-(1-methylpiperidin-4-yl)ethynyl]benzamide
CID 118424481
5-(1-cyclohexylprop-1-enyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-methylthiophene-3-carboxamide
CID 123433935
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-[ethyl(oxan-4-yl)amino]-2-methyl-5-[2-[1-(oxetan-3-yl)piperidin-4-yl]ethynyl]benzamide
CID 90143767
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-7-[4-(morpholin-4-ylmethyl)phenyl]-5-(oxan-4-yl)-3,4-dihydro-2H-1,5-benzoxazepine-9-carboxamide
CID 135564153

Frequently Asked Questions

What is the IUPAC name of 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide (CID 134134412) is 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(C#N)cc3c2CCN3C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is WEWUYFKALGFFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-14-9-15(2)26-23(29)20(14)13-25-22(28)19-10-16(12-24)11-21-18(19)7-8-27(21)17-5-3-4-6-17/h9-11,17H,3-8,13H2,1-2H3,(H,25,28)(H,26,29).
What are the key properties of 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide?
6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 390.49 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyano-1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 134134412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).