2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide

C23H25F2N7O2 — CID 90456031

IUPAC2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCCNc1nc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C23H25F2N7O2/c1-3-26-23-30-18(12-20(31-23)32-6-8-34-9-7-32)17-11-16(13-28-14(17)2)29-22(33)15-4-5-27-19(10-15)21(24)25/h4-5,10-13,21H,3,6-9H2,1-2H3,(H,29,33)(H,26,30,31)
InChIKeyFYVWLMHQYRYDSO-UHFFFAOYSA-N
MW469.50 g/mol
LogP3.70
Rot. Bonds7

About 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide

2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 90456031) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
PubChem CID90456031
Molecular FormulaC23H25F2N7O2
Molecular Weight469.50 g/mol
Exact Mass469.20
IUPAC Name2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCCNc1nc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1
InChIInChI=1S/C23H25F2N7O2/c1-3-26-23-30-18(12-20(31-23)32-6-8-34-9-7-32)17-11-16(13-28-14(17)2)29-22(33)15-4-5-27-19(10-15)21(24)25/h4-5,10-13,21H,3,6-9H2,1-2H3,(H,29,33)(H,26,30,31)
InChIKeyFYVWLMHQYRYDSO-UHFFFAOYSA-N
XLogP3.70
TPSA105.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.50
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (CID 90456031) is 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is CCNc1nc(-c2cc(NC(=O)c3ccnc(C(F)F)c3)cnc2C)cc(N2CCOCC2)n1.
What is the InChIKey of 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is FYVWLMHQYRYDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-3-26-23-30-18(12-20(31-23)32-6-8-34-9-7-32)17-11-16(13-28-14(17)2)29-22(33)15-4-5-27-19(10-15)21(24)25/h4-5,10-13,21H,3,6-9H2,1-2H3,(H,29,33)(H,26,30,31).
What are the key properties of 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[5-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 90456031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).