2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide

C27H29F2N5O3 — CID 90461292

IUPAC2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C27H29F2N5O3/c1-18-2-3-21(31-27(35)19-4-5-30-23(14-19)26(28)29)17-22(18)20-15-24(33-6-10-36-11-7-33)32-25(16-20)34-8-12-37-13-9-34/h2-5,14-17,26H,6-13H2,1H3,(H,31,35)
InChIKeyQJYIMGVDSRUSLN-UHFFFAOYSA-N
MW509.56 g/mol
LogP4.32
Rot. Bonds6

About 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide

2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 90461292) has the molecular formula C27H29F2N5O3 and a molecular weight of 509.56 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
PubChem CID90461292
Molecular FormulaC27H29F2N5O3
Molecular Weight509.56 g/mol
Exact Mass509.22
IUPAC Name2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C27H29F2N5O3/c1-18-2-3-21(31-27(35)19-4-5-30-23(14-19)26(28)29)17-22(18)20-15-24(33-6-10-36-11-7-33)32-25(16-20)34-8-12-37-13-9-34/h2-5,14-17,26H,6-13H2,1H3,(H,31,35)
InChIKeyQJYIMGVDSRUSLN-UHFFFAOYSA-N
XLogP4.32
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.56
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-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-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide (CID 90461292) is 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(N2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is QJYIMGVDSRUSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F2N5O3/c1-18-2-3-21(31-27(35)19-4-5-30-23(14-19)26(28)29)17-22(18)20-15-24(33-6-10-36-11-7-33)32-25(16-20)34-8-12-37-13-9-34/h2-5,14-17,26H,6-13H2,1H3,(H,31,35).
What are the key properties of 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 509.56 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[3-(2,6-dimorpholin-4-yl-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).