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

C32H40N4O3 — CID 134134857

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-yl-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2C(C)CN3C(C)C)c(=O)[nH]1
InChIInChI=1S/C32H40N4O3/c1-20(2)36-18-22(4)30-27(31(37)33-17-28-21(3)14-23(5)34-32(28)38)15-26(16-29(30)36)25-8-6-24(7-9-25)19-35-10-12-39-13-11-35/h6-9,14-16,20,22H,10-13,17-19H2,1-5H3,(H,33,37)(H,34,38)
InChIKeyRYSBINDHKQGGGN-UHFFFAOYSA-N
MW528.70 g/mol
LogP4.75
Rot. Bonds7

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-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-propan-2-yl-2,3-dihydroindole-4-carboxamide (PubChem CID 134134857) has the molecular formula C32H40N4O3 and a molecular weight of 528.70 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-propan-2-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-propan-2-yl-2,3-dihydroindole-4-carboxamide
PubChem CID134134857
Molecular FormulaC32H40N4O3
Molecular Weight528.70 g/mol
Exact Mass528.31
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-yl-2,3-dihydroindole-4-carboxamide
SMILESCc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2C(C)CN3C(C)C)c(=O)[nH]1
InChIInChI=1S/C32H40N4O3/c1-20(2)36-18-22(4)30-27(31(37)33-17-28-21(3)14-23(5)34-32(28)38)15-26(16-29(30)36)25-8-6-24(7-9-25)19-35-10-12-39-13-11-35/h6-9,14-16,20,22H,10-13,17-19H2,1-5H3,(H,33,37)(H,34,38)
InChIKeyRYSBINDHKQGGGN-UHFFFAOYSA-N
XLogP4.75
TPSA77.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500528.70
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-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-propan-2-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-propan-2-yl-2,3-dihydroindole-4-carboxamide (CID 134134857) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-methyl-6-[4-(morpholin-4-ylmethyl)phenyl]-1-propan-2-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-propan-2-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-propan-2-yl-2,3-dihydroindole-4-carboxamide is Cc1cc(C)c(CNC(=O)c2cc(-c3ccc(CN4CCOCC4)cc3)cc3c2C(C)CN3C(C)C)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-propan-2-yl-2,3-dihydroindole-4-carboxamide?
The InChIKey is RYSBINDHKQGGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40N4O3/c1-20(2)36-18-22(4)30-27(31(37)33-17-28-21(3)14-23(5)34-32(28)38)15-26(16-29(30)36)25-8-6-24(7-9-25)19-35-10-12-39-13-11-35/h6-9,14-16,20,22H,10-13,17-19H2,1-5H3,(H,33,37)(H,34,38).
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-propan-2-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-propan-2-yl-2,3-dihydroindole-4-carboxamide has a molecular weight of 528.70 g/mol, XLogP of 4.75, 7 rotatable bonds, 2 hydrogen bond donors, and 5 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-propan-2-yl-2,3-dihydroindole-4-carboxamide is sourced from PubChem (CID 134134857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).