N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide

C24H23ClF2N4O3 — CID 90457001

IUPACN-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H23ClF2N4O3/c1-24(26,27)21-12-15(5-6-28-21)22(32)29-17-3-4-19(25)18(13-17)16-11-20(23(33)30(2)14-16)31-7-9-34-10-8-31/h3-6,11-14H,7-10H2,1-2H3,(H,29,32)
InChIKeyPEVAEYPAACQFLC-UHFFFAOYSA-N
MW488.92 g/mol
LogP4.30
Rot. Bonds5

About N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide

N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide (PubChem CID 90457001) has the molecular formula C24H23ClF2N4O3 and a molecular weight of 488.92 g/mol. Its IUPAC name is N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
PubChem CID90457001
Molecular FormulaC24H23ClF2N4O3
Molecular Weight488.92 g/mol
Exact Mass488.14
IUPAC NameN-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H23ClF2N4O3/c1-24(26,27)21-12-15(5-6-28-21)22(32)29-17-3-4-19(25)18(13-17)16-11-20(23(33)30(2)14-16)31-7-9-34-10-8-31/h3-6,11-14H,7-10H2,1-2H3,(H,29,32)
InChIKeyPEVAEYPAACQFLC-UHFFFAOYSA-N
XLogP4.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.92
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide (CID 90457001) is N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide is Cn1cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2Cl)cc(N2CCOCC2)c1=O.
What is the InChIKey of N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
The InChIKey is PEVAEYPAACQFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClF2N4O3/c1-24(26,27)21-12-15(5-6-28-21)22(32)29-17-3-4-19(25)18(13-17)16-11-20(23(33)30(2)14-16)31-7-9-34-10-8-31/h3-6,11-14H,7-10H2,1-2H3,(H,29,32).
What are the key properties of N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide?
N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide has a molecular weight of 488.92 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide is sourced from PubChem (CID 90457001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).