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

C33H40N4O4 — CID 134143634

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)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)cc3c2CCN3C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C33H40N4O4/c1-22-17-23(2)35-33(39)30(22)20-34-32(38)29-18-26(19-31-28(29)7-10-37(31)27-8-13-40-14-9-27)25-5-3-24(4-6-25)21-36-11-15-41-16-12-36/h3-6,17-19,27H,7-16,20-21H2,1-2H3,(H,34,38)(H,35,39)
InChIKeyOJAOIYFLZPJWBU-UHFFFAOYSA-N
MW556.71 g/mol
LogP3.96
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)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]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide (PubChem CID 134143634) has the molecular formula C33H40N4O4 and a molecular weight of 556.71 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)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]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide
PubChem CID134143634
Molecular FormulaC33H40N4O4
Molecular Weight556.71 g/mol
Exact Mass556.30
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)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)cc3c2CCN3C2CCOCC2)c(=O)[nH]1
InChIInChI=1S/C33H40N4O4/c1-22-17-23(2)35-33(39)30(22)20-34-32(38)29-18-26(19-31-28(29)7-10-37(31)27-8-13-40-14-9-27)25-5-3-24(4-6-25)21-36-11-15-41-16-12-36/h3-6,17-19,27H,7-16,20-21H2,1-2H3,(H,34,38)(H,35,39)
InChIKeyOJAOIYFLZPJWBU-UHFFFAOYSA-N
XLogP3.96
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500556.71
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)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]-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]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide (CID 134143634) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)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]-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]-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)cc3c2CCN3C2CCOCC2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide?
The InChIKey is OJAOIYFLZPJWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4O4/c1-22-17-23(2)35-33(39)30(22)20-34-32(38)29-18-26(19-31-28(29)7-10-37(31)27-8-13-40-14-9-27)25-5-3-24(4-6-25)21-36-11-15-41-16-12-36/h3-6,17-19,27H,7-16,20-21H2,1-2H3,(H,34,38)(H,35,39).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)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]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide has a molecular weight of 556.71 g/mol, XLogP of 3.96, 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]-6-[4-(morpholin-4-ylmethyl)phenyl]-1-(oxan-4-yl)-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 134143634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).