3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide

C24H21F2N5O2 — CID 135349444

IUPAC3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)c(C(N)=O)n1
InChIInChI=1S/C24H21F2N5O2/c1-14-2-4-18(22(30-14)23(28)32)19-10-15(12-27)13-29-24(19)31-8-6-17(7-9-31)33-21-5-3-16(25)11-20(21)26/h2-5,10-11,13,17H,6-9H2,1H3,(H2,28,32)
InChIKeyADLYDPITVQYURX-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.75
Rot. Bonds5

About 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide

3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide (PubChem CID 135349444) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide
PubChem CID135349444
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC Name3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide
SMILESCc1ccc(-c2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)c(C(N)=O)n1
InChIInChI=1S/C24H21F2N5O2/c1-14-2-4-18(22(30-14)23(28)32)19-10-15(12-27)13-29-24(19)31-8-6-17(7-9-31)33-21-5-3-16(25)11-20(21)26/h2-5,10-11,13,17H,6-9H2,1H3,(H2,28,32)
InChIKeyADLYDPITVQYURX-UHFFFAOYSA-N
XLogP3.75
TPSA105.13 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide (CID 135349444) is 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide is Cc1ccc(-c2cc(C#N)cnc2N2CCC(Oc3ccc(F)cc3F)CC2)c(C(N)=O)n1.
What is the InChIKey of 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide?
The InChIKey is ADLYDPITVQYURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-14-2-4-18(22(30-14)23(28)32)19-10-15(12-27)13-29-24(19)31-8-6-17(7-9-31)33-21-5-3-16(25)11-20(21)26/h2-5,10-11,13,17H,6-9H2,1H3,(H2,28,32).
What are the key properties of 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide?
3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide has a molecular weight of 449.46 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-pyridinyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 135349444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).