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

C26H28F2N4O3 — CID 90461404

IUPAC2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCCn1c(N2CCOCC2)cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1=O
InChIInChI=1S/C26H28F2N4O3/c1-4-32-23(31-9-11-35-12-10-31)14-19(15-24(32)33)21-16-20(6-5-17(21)2)30-25(34)18-7-8-29-22(13-18)26(3,27)28/h5-8,13-16H,4,9-12H2,1-3H3,(H,30,34)
InChIKeyTVZOOFYXXUNQKB-UHFFFAOYSA-N
MW482.53 g/mol
LogP4.44
Rot. Bonds6

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

2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide (PubChem CID 90461404) has the molecular formula C26H28F2N4O3 and a molecular weight of 482.53 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
PubChem CID90461404
Molecular FormulaC26H28F2N4O3
Molecular Weight482.53 g/mol
Exact Mass482.21
IUPAC Name2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide
SMILESCCn1c(N2CCOCC2)cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1=O
InChIInChI=1S/C26H28F2N4O3/c1-4-32-23(31-9-11-35-12-10-31)14-19(15-24(32)33)21-16-20(6-5-17(21)2)30-25(34)18-7-8-29-22(13-18)26(3,27)28/h5-8,13-16H,4,9-12H2,1-3H3,(H,30,34)
InChIKeyTVZOOFYXXUNQKB-UHFFFAOYSA-N
XLogP4.44
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 ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide (CID 90461404) is 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide is CCn1c(N2CCOCC2)cc(-c2cc(NC(=O)c3ccnc(C(C)(F)F)c3)ccc2C)cc1=O.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
The InChIKey is TVZOOFYXXUNQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O3/c1-4-32-23(31-9-11-35-12-10-31)14-19(15-24(32)33)21-16-20(6-5-17(21)2)30-25(34)18-7-8-29-22(13-18)26(3,27)28/h5-8,13-16H,4,9-12H2,1-3H3,(H,30,34).
What are the key properties of 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide has a molecular weight of 482.53 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[3-(1-ethyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).