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

C26H28F2N4O3 — CID 90461377

IUPAC2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1
InChIInChI=1S/C26H28F2N4O3/c1-4-26(27,28)23-14-18(7-8-29-23)24(33)30-20-6-5-17(2)21(15-20)19-13-22(25(34)31(3)16-19)32-9-11-35-12-10-32/h5-8,13-16H,4,9-12H2,1-3H3,(H,30,33)
InChIKeyZKANYWMNLVXDMU-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.35
Rot. Bonds6

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

2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide (PubChem CID 90461377) has the molecular formula C26H28F2N4O3 and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
PubChem CID90461377
Molecular FormulaC26H28F2N4O3
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide
SMILESCCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1
InChIInChI=1S/C26H28F2N4O3/c1-4-26(27,28)23-14-18(7-8-29-23)24(33)30-20-6-5-17(2)21(15-20)19-13-22(25(34)31(3)16-19)32-9-11-35-12-10-32/h5-8,13-16H,4,9-12H2,1-3H3,(H,30,33)
InChIKeyZKANYWMNLVXDMU-UHFFFAOYSA-N
XLogP4.35
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.53
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]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 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide (CID 90461377) is 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide is CCC(F)(F)c1cc(C(=O)Nc2ccc(C)c(-c3cc(N4CCOCC4)c(=O)n(C)c3)c2)ccn1.
What is the InChIKey of 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
The InChIKey is ZKANYWMNLVXDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O3/c1-4-26(27,28)23-14-18(7-8-29-23)24(33)30-20-6-5-17(2)21(15-20)19-13-22(25(34)31(3)16-19)32-9-11-35-12-10-32/h5-8,13-16H,4,9-12H2,1-3H3,(H,30,33).
What are the key properties of 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide?
2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).