N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide

C25H26F2N4O4 — CID 149160861

IUPACN-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOCc1cnc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)c1
InChIInChI=1S/C25H26F2N4O4/c1-33-15-16-12-21(30-24(32)19-4-3-9-28-25(19)34-2)23(29-14-16)31-10-7-18(8-11-31)35-22-6-5-17(26)13-20(22)27/h3-6,9,12-14,18H,7-8,10-11,15H2,1-2H3,(H,30,32)
InChIKeyVADCYSRNCZOBNR-UHFFFAOYSA-N
MW484.50 g/mol
LogP4.21
Rot. Bonds8

About N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide

N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide (PubChem CID 149160861) has the molecular formula C25H26F2N4O4 and a molecular weight of 484.50 g/mol. Its IUPAC name is N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide
PubChem CID149160861
Molecular FormulaC25H26F2N4O4
Molecular Weight484.50 g/mol
Exact Mass484.19
IUPAC NameN-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide
SMILESCOCc1cnc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)c1
InChIInChI=1S/C25H26F2N4O4/c1-33-15-16-12-21(30-24(32)19-4-3-9-28-25(19)34-2)23(29-14-16)31-10-7-18(8-11-31)35-22-6-5-17(26)13-20(22)27/h3-6,9,12-14,18H,7-8,10-11,15H2,1-2H3,(H,30,32)
InChIKeyVADCYSRNCZOBNR-UHFFFAOYSA-N
XLogP4.21
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.50
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-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 N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide (CID 149160861) is N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide is COCc1cnc(N2CCC(Oc3ccc(F)cc3F)CC2)c(NC(=O)c2cccnc2OC)c1.
What is the InChIKey of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is VADCYSRNCZOBNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F2N4O4/c1-33-15-16-12-21(30-24(32)19-4-3-9-28-25(19)34-2)23(29-14-16)31-10-7-18(8-11-31)35-22-6-5-17(26)13-20(22)27/h3-6,9,12-14,18H,7-8,10-11,15H2,1-2H3,(H,30,32).
What are the key properties of N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide?
N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 484.50 g/mol, XLogP of 4.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-5-(methoxymethyl)-3-pyridinyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 149160861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).