4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide

C32H30N4O3 — CID 160670723

IUPAC4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3cnc(C(N)=O)c4c3-c3ccc(N5CCOCC5)cc3C4)c2C)cc1
InChIInChI=1S/C32H30N4O3/c1-19-6-8-21(9-7-19)32(38)35-28-5-3-4-24(20(28)2)27-18-34-30(31(33)37)26-17-22-16-23(10-11-25(22)29(26)27)36-12-14-39-15-13-36/h3-11,16,18H,12-15,17H2,1-2H3,(H2,33,37)(H,35,38)
InChIKeyRMWWPUKTCDLGKQ-UHFFFAOYSA-N
MW518.62 g/mol
LogP5.12
Rot. Bonds5

About 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide

4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide (PubChem CID 160670723) has the molecular formula C32H30N4O3 and a molecular weight of 518.62 g/mol. Its IUPAC name is 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
PubChem CID160670723
Molecular FormulaC32H30N4O3
Molecular Weight518.62 g/mol
Exact Mass518.23
IUPAC Name4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(-c3cnc(C(N)=O)c4c3-c3ccc(N5CCOCC5)cc3C4)c2C)cc1
InChIInChI=1S/C32H30N4O3/c1-19-6-8-21(9-7-19)32(38)35-28-5-3-4-24(20(28)2)27-18-34-30(31(33)37)26-17-22-16-23(10-11-25(22)29(26)27)36-12-14-39-15-13-36/h3-11,16,18H,12-15,17H2,1-2H3,(H2,33,37)(H,35,38)
InChIKeyRMWWPUKTCDLGKQ-UHFFFAOYSA-N
XLogP5.12
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.62
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?
The IUPAC name of 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide (CID 160670723) is 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide.
What is the SMILES notation for 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?
The canonical SMILES for 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide is Cc1ccc(C(=O)Nc2cccc(-c3cnc(C(N)=O)c4c3-c3ccc(N5CCOCC5)cc3C4)c2C)cc1.
What is the InChIKey of 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?
The InChIKey is RMWWPUKTCDLGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30N4O3/c1-19-6-8-21(9-7-19)32(38)35-28-5-3-4-24(20(28)2)27-18-34-30(31(33)37)26-17-22-16-23(10-11-25(22)29(26)27)36-12-14-39-15-13-36/h3-11,16,18H,12-15,17H2,1-2H3,(H2,33,37)(H,35,38).
What are the key properties of 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide?
4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide has a molecular weight of 518.62 g/mol, XLogP of 5.12, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-3-[(4-methylbenzoyl)amino]phenyl]-7-morpholin-4-yl-9H-indeno[2,1-c]pyridine-1-carboxamide is sourced from PubChem (CID 160670723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).