N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

C32H25F2N5O2 — CID 67478051

IUPACN-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCN(Cc1ccccc1)c1c(C#N)cnc2ccc(CNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIInChI=1S/C32H25F2N5O2/c1-38(19-21-6-3-2-4-7-21)30-24(16-35)18-36-29-12-10-22(14-26(29)30)17-37-31(40)25-8-5-13-39(32(25)41)20-23-9-11-27(33)28(34)15-23/h2-15,18H,17,19-20H2,1H3,(H,37,40)
InChIKeyZOKKGGGHNHPMNX-UHFFFAOYSA-N
MW549.58 g/mol
LogP5.16
Rot. Bonds8

About N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide

N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 67478051) has the molecular formula C32H25F2N5O2 and a molecular weight of 549.58 g/mol. Its IUPAC name is N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID67478051
Molecular FormulaC32H25F2N5O2
Molecular Weight549.58 g/mol
Exact Mass549.20
IUPAC NameN-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCN(Cc1ccccc1)c1c(C#N)cnc2ccc(CNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12
InChIInChI=1S/C32H25F2N5O2/c1-38(19-21-6-3-2-4-7-21)30-24(16-35)18-36-29-12-10-22(14-26(29)30)17-37-31(40)25-8-5-13-39(32(25)41)20-23-9-11-27(33)28(34)15-23/h2-15,18H,17,19-20H2,1H3,(H,37,40)
InChIKeyZOKKGGGHNHPMNX-UHFFFAOYSA-N
XLogP5.16
TPSA91.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.58
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide (CID 67478051) is N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is CN(Cc1ccccc1)c1c(C#N)cnc2ccc(CNC(=O)c3cccn(Cc4ccc(F)c(F)c4)c3=O)cc12.
What is the InChIKey of N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is ZOKKGGGHNHPMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25F2N5O2/c1-38(19-21-6-3-2-4-7-21)30-24(16-35)18-36-29-12-10-22(14-26(29)30)17-37-31(40)25-8-5-13-39(32(25)41)20-23-9-11-27(33)28(34)15-23/h2-15,18H,17,19-20H2,1H3,(H,37,40).
What are the key properties of N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 549.58 g/mol, XLogP of 5.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[benzyl(methyl)amino]-3-cyanoquinolin-6-yl]methyl]-1-[(3,4-difluorophenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 67478051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).