4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide

C25H26ClFN4O3 — CID 118057780

IUPAC4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(OC)cc(-c2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H26ClFN4O3/c1-33-18-9-15(10-19(12-18)34-2)20-13-29-14-21(24(20)31-7-5-16(28)6-8-31)25(32)30-17-3-4-23(27)22(26)11-17/h3-4,9-14,16H,5-8,28H2,1-2H3,(H,30,32)
InChIKeyXYMZWBIECCBBJO-UHFFFAOYSA-N
MW484.96 g/mol
LogP4.74
Rot. Bonds6

About 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide

4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide (PubChem CID 118057780) has the molecular formula C25H26ClFN4O3 and a molecular weight of 484.96 g/mol. Its IUPAC name is 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide
PubChem CID118057780
Molecular FormulaC25H26ClFN4O3
Molecular Weight484.96 g/mol
Exact Mass484.17
IUPAC Name4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide
SMILESCOc1cc(OC)cc(-c2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2N2CCC(N)CC2)c1
InChIInChI=1S/C25H26ClFN4O3/c1-33-18-9-15(10-19(12-18)34-2)20-13-29-14-21(24(20)31-7-5-16(28)6-8-31)25(32)30-17-3-4-23(27)22(26)11-17/h3-4,9-14,16H,5-8,28H2,1-2H3,(H,30,32)
InChIKeyXYMZWBIECCBBJO-UHFFFAOYSA-N
XLogP4.74
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.96
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide (CID 118057780) is 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide is COc1cc(OC)cc(-c2cncc(C(=O)Nc3ccc(F)c(Cl)c3)c2N2CCC(N)CC2)c1.
What is the InChIKey of 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide?
The InChIKey is XYMZWBIECCBBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26ClFN4O3/c1-33-18-9-15(10-19(12-18)34-2)20-13-29-14-21(24(20)31-7-5-16(28)6-8-31)25(32)30-17-3-4-23(27)22(26)11-17/h3-4,9-14,16H,5-8,28H2,1-2H3,(H,30,32).
What are the key properties of 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide?
4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide has a molecular weight of 484.96 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-aminopiperidin-1-yl)-N-(3-chloro-4-fluorophenyl)-5-(3,5-dimethoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 118057780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).