2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide

C22H22F2N6O2 — CID 90461366

IUPAC2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cncc(N2CCOCC2)n1
InChIInChI=1S/C22H22F2N6O2/c1-14-17(18-12-25-13-20(29-18)30-5-7-32-8-6-30)10-16(11-27-14)28-21(31)15-3-4-26-19(9-15)22(2,23)24/h3-4,9-13H,5-8H2,1-2H3,(H,28,31)
InChIKeyZCZPPOCOHMIXPQ-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.44
Rot. Bonds5

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

2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90461366) has the molecular formula C22H22F2N6O2 and a molecular weight of 440.45 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90461366
Molecular FormulaC22H22F2N6O2
Molecular Weight440.45 g/mol
Exact Mass440.18
IUPAC Name2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cncc(N2CCOCC2)n1
InChIInChI=1S/C22H22F2N6O2/c1-14-17(18-12-25-13-20(29-18)30-5-7-32-8-6-30)10-16(11-27-14)28-21(31)15-3-4-26-19(9-15)22(2,23)24/h3-4,9-13H,5-8H2,1-2H3,(H,28,31)
InChIKeyZCZPPOCOHMIXPQ-UHFFFAOYSA-N
XLogP3.44
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide (CID 90461366) is 2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cncc(N2CCOCC2)n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is ZCZPPOCOHMIXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O2/c1-14-17(18-12-25-13-20(29-18)30-5-7-32-8-6-30)10-16(11-27-14)28-21(31)15-3-4-26-19(9-15)22(2,23)24/h3-4,9-13H,5-8H2,1-2H3,(H,28,31).
What are the key properties of 2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 440.45 g/mol, XLogP of 3.44, 5 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-[6-methyl-5-(6-morpholin-4-ylpyrazin-2-yl)-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90461366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).