N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide

C30H36FN3O — CID 143233493

IUPACN-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(-c3cccc(F)c3)cc2)C2CCN(CCC(C)C)CC2)nc1
InChIInChI=1S/C30H36FN3O/c1-22(2)13-16-33-17-14-28(15-18-33)34(30(35)29-12-7-23(3)20-32-29)21-24-8-10-25(11-9-24)26-5-4-6-27(31)19-26/h4-12,19-20,22,28H,13-18,21H2,1-3H3
InChIKeyZDHORRNYDNXRLK-UHFFFAOYSA-N
MW473.64 g/mol
LogP6.35
Rot. Bonds8

About N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide

N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide (PubChem CID 143233493) has the molecular formula C30H36FN3O and a molecular weight of 473.64 g/mol. Its IUPAC name is N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
PubChem CID143233493
Molecular FormulaC30H36FN3O
Molecular Weight473.64 g/mol
Exact Mass473.28
IUPAC NameN-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide
SMILESCc1ccc(C(=O)N(Cc2ccc(-c3cccc(F)c3)cc2)C2CCN(CCC(C)C)CC2)nc1
InChIInChI=1S/C30H36FN3O/c1-22(2)13-16-33-17-14-28(15-18-33)34(30(35)29-12-7-23(3)20-32-29)21-24-8-10-25(11-9-24)26-5-4-6-27(31)19-26/h4-12,19-20,22,28H,13-18,21H2,1-3H3
InChIKeyZDHORRNYDNXRLK-UHFFFAOYSA-N
XLogP6.35
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.64
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide (CID 143233493) is N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide is Cc1ccc(C(=O)N(Cc2ccc(-c3cccc(F)c3)cc2)C2CCN(CCC(C)C)CC2)nc1.
What is the InChIKey of N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is ZDHORRNYDNXRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36FN3O/c1-22(2)13-16-33-17-14-28(15-18-33)34(30(35)29-12-7-23(3)20-32-29)21-24-8-10-25(11-9-24)26-5-4-6-27(31)19-26/h4-12,19-20,22,28H,13-18,21H2,1-3H3.
What are the key properties of N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide?
N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 473.64 g/mol, XLogP of 6.35, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-fluorophenyl)phenyl]methyl]-5-methyl-N-[1-(3-methylbutyl)piperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 143233493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).