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

C25H27F2N5O4 — CID 118887141

IUPAC2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C25H27F2N5O4/c1-16-20(18-12-22(32-5-8-35-9-6-32)31-23(13-18)36-10-7-33)14-19(15-29-16)30-24(34)17-3-4-28-21(11-17)25(2,26)27/h3-4,11-15,33H,5-10H2,1-2H3,(H,30,34)
InChIKeyFQIQRLHRBVZREJ-UHFFFAOYSA-N
MW499.52 g/mol
LogP3.42
Rot. Bonds8

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

2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (PubChem CID 118887141) has the molecular formula C25H27F2N5O4 and a molecular weight of 499.52 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
PubChem CID118887141
Molecular FormulaC25H27F2N5O4
Molecular Weight499.52 g/mol
Exact Mass499.20
IUPAC Name2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide
SMILESCc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C25H27F2N5O4/c1-16-20(18-12-22(32-5-8-35-9-6-32)31-23(13-18)36-10-7-33)14-19(15-29-16)30-24(34)17-3-4-28-21(11-17)25(2,26)27/h3-4,11-15,33H,5-10H2,1-2H3,(H,30,34)
InChIKeyFQIQRLHRBVZREJ-UHFFFAOYSA-N
XLogP3.42
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The IUPAC name of 2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide (CID 118887141) is 2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is Cc1ncc(NC(=O)c2ccnc(C(C)(F)F)c2)cc1-c1cc(OCCO)nc(N2CCOCC2)c1.
What is the InChIKey of 2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
The InChIKey is FQIQRLHRBVZREJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F2N5O4/c1-16-20(18-12-22(32-5-8-35-9-6-32)31-23(13-18)36-10-7-33)14-19(15-29-16)30-24(34)17-3-4-28-21(11-17)25(2,26)27/h3-4,11-15,33H,5-10H2,1-2H3,(H,30,34).
What are the key properties of 2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide?
2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide has a molecular weight of 499.52 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-N-[5-[2-(2-hydroxyethoxy)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide is sourced from PubChem (CID 118887141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).