2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide

C28H30F2N4O4 — CID 90463298

IUPAC2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C28H30F2N4O4/c1-18-2-3-21(32-28(35)19-4-7-31-24(14-19)27(29)30)17-23(18)20-15-25(34-8-12-37-13-9-34)33-26(16-20)38-22-5-10-36-11-6-22/h2-4,7,14-17,22,27H,5-6,8-13H2,1H3,(H,32,35)
InChIKeyBKOSMJWAOFWFIQ-UHFFFAOYSA-N
MW524.57 g/mol
LogP5.04
Rot. Bonds7

About 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide

2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide (PubChem CID 90463298) has the molecular formula C28H30F2N4O4 and a molecular weight of 524.57 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide
PubChem CID90463298
Molecular FormulaC28H30F2N4O4
Molecular Weight524.57 g/mol
Exact Mass524.22
IUPAC Name2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1
InChIInChI=1S/C28H30F2N4O4/c1-18-2-3-21(32-28(35)19-4-7-31-24(14-19)27(29)30)17-23(18)20-15-25(34-8-12-37-13-9-34)33-26(16-20)38-22-5-10-36-11-6-22/h2-4,7,14-17,22,27H,5-6,8-13H2,1H3,(H,32,35)
InChIKeyBKOSMJWAOFWFIQ-UHFFFAOYSA-N
XLogP5.04
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.57
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide (CID 90463298) is 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(C(F)F)c2)cc1-c1cc(OC2CCOCC2)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide?
The InChIKey is BKOSMJWAOFWFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30F2N4O4/c1-18-2-3-21(32-28(35)19-4-7-31-24(14-19)27(29)30)17-23(18)20-15-25(34-8-12-37-13-9-34)33-26(16-20)38-22-5-10-36-11-6-22/h2-4,7,14-17,22,27H,5-6,8-13H2,1H3,(H,32,35).
What are the key properties of 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide has a molecular weight of 524.57 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[4-methyl-3-[2-morpholin-4-yl-6-(oxan-4-yloxy)-4-pyridinyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90463298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).