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

C34H42N4O3 — CID 134139550

IUPAC1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2C(C)CN3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C34H42N4O3/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(18-31-32(29)23(2)20-38(31)28-6-4-5-7-28)26-10-8-25(9-11-26)21-37-12-14-41-15-13-37/h8-11,16-18,23,28H,4-7,12-15,19-21H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyQHNITKGBPYIHKK-UHFFFAOYSA-N
MW554.74 g/mol
LogP5.29
Rot. Bonds7

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

1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide (PubChem CID 134139550) has the molecular formula C34H42N4O3 and a molecular weight of 554.74 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide
PubChem CID134139550
Molecular FormulaC34H42N4O3
Molecular Weight554.74 g/mol
Exact Mass554.33
IUPAC Name1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2C(C)CN3C2CCCC2)c(=O)[nH]1
InChIInChI=1S/C34H42N4O3/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(18-31-32(29)23(2)20-38(31)28-6-4-5-7-28)26-10-8-25(9-11-26)21-37-12-14-41-15-13-37/h8-11,16-18,23,28H,4-7,12-15,19-21H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyQHNITKGBPYIHKK-UHFFFAOYSA-N
XLogP5.29
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.74
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide (CID 134139550) is 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2C(C)CN3C2CCCC2)c(=O)[nH]1.
What is the InChIKey of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide?
The InChIKey is QHNITKGBPYIHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O3/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(18-31-32(29)23(2)20-38(31)28-6-4-5-7-28)26-10-8-25(9-11-26)21-37-12-14-41-15-13-37/h8-11,16-18,23,28H,4-7,12-15,19-21H2,1-3H3,(H,35,39)(H,36,40).
What are the key properties of 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide?
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide has a molecular weight of 554.74 g/mol, XLogP of 5.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 134139550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).