2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

C28H30F2N4O4 — CID 90463054

IUPAC2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(C2COCCO2)nc(N2CCOCC2)c1
InChIInChI=1S/C28H30F2N4O4/c1-18-3-4-21(32-27(35)19-5-6-31-25(14-19)28(2,29)30)16-22(18)20-13-23(24-17-37-11-12-38-24)33-26(15-20)34-7-9-36-10-8-34/h3-6,13-16,24H,7-12,17H2,1-2H3,(H,32,35)
InChIKeyPYHYMBDJYKFULS-UHFFFAOYSA-N
MW524.57 g/mol
LogP4.74
Rot. Bonds6

About 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide

2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 90463054) has the molecular formula C28H30F2N4O4 and a molecular weight of 524.57 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
PubChem CID90463054
Molecular FormulaC28H30F2N4O4
Molecular Weight524.57 g/mol
Exact Mass524.22
IUPAC Name2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(C2COCCO2)nc(N2CCOCC2)c1
InChIInChI=1S/C28H30F2N4O4/c1-18-3-4-21(32-27(35)19-5-6-31-25(14-19)28(2,29)30)16-22(18)20-13-23(24-17-37-11-12-38-24)33-26(15-20)34-7-9-36-10-8-34/h3-6,13-16,24H,7-12,17H2,1-2H3,(H,32,35)
InChIKeyPYHYMBDJYKFULS-UHFFFAOYSA-N
XLogP4.74
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.57
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]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-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide (CID 90463054) is 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(C2COCCO2)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is PYHYMBDJYKFULS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O4/c1-18-3-4-21(32-27(35)19-5-6-31-25(14-19)28(2,29)30)16-22(18)20-13-23(24-17-37-11-12-38-24)33-26(15-20)34-7-9-36-10-8-34/h3-6,13-16,24H,7-12,17H2,1-2H3,(H,32,35).
What are the key properties of 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 524.57 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[3-[2-(1,4-dioxan-2-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90463054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).