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

C34H42N4O4 — CID 134137113

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2C(C)CN3C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C34H42N4O4/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(26-6-4-25(5-7-26)21-37-10-14-42-15-11-37)18-31-32(29)23(2)20-38(31)28-8-12-41-13-9-28/h4-7,16-18,23,28H,8-15,19-21H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyAGFJSOIBLBIMSF-UHFFFAOYSA-N
MW570.73 g/mol
LogP4.52
Rot. Bonds7

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

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide (PubChem CID 134137113) has the molecular formula C34H42N4O4 and a molecular weight of 570.73 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide
PubChem CID134137113
Molecular FormulaC34H42N4O4
Molecular Weight570.73 g/mol
Exact Mass570.32
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2C(C)CN3C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C34H42N4O4/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(26-6-4-25(5-7-26)21-37-10-14-42-15-11-37)18-31-32(29)23(2)20-38(31)28-8-12-41-13-9-28/h4-7,16-18,23,28H,8-15,19-21H2,1-3H3,(H,35,39)(H,36,40)
InChIKeyAGFJSOIBLBIMSF-UHFFFAOYSA-N
XLogP4.52
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.73
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide (CID 134137113) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2C(C)CN3C2CCOCC2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is AGFJSOIBLBIMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42N4O4/c1-22-16-24(3)36-34(40)30(22)19-35-33(39)29-17-27(26-6-4-25(5-7-26)21-37-10-14-42-15-11-37)18-31-32(29)23(2)20-38(31)28-8-12-41-13-9-28/h4-7,16-18,23,28H,8-15,19-21H2,1-3H3,(H,35,39)(H,36,40).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 570.73 g/mol, XLogP of 4.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 134137113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).