N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

C25H28ClF3N4O2 — CID 118521962

IUPACN-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C25H28ClF3N4O2/c26-21-7-6-20(32-24(35)22-8-5-18(14-30-22)25(27,28)29)13-17(21)15-33-11-9-16(10-12-33)23(34)31-19-3-1-2-4-19/h5-8,13-14,16,19H,1-4,9-12,15H2,(H,31,34)(H,32,35)
InChIKeyWWBNUPXWSXZUEL-UHFFFAOYSA-N
MW508.97 g/mol
LogP5.28
Rot. Bonds6

About N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide

N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 118521962) has the molecular formula C25H28ClF3N4O2 and a molecular weight of 508.97 g/mol. Its IUPAC name is N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID118521962
Molecular FormulaC25H28ClF3N4O2
Molecular Weight508.97 g/mol
Exact Mass508.19
IUPAC NameN-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C25H28ClF3N4O2/c26-21-7-6-20(32-24(35)22-8-5-18(14-30-22)25(27,28)29)13-17(21)15-33-11-9-16(10-12-33)23(34)31-19-3-1-2-4-19/h5-8,13-14,16,19H,1-4,9-12,15H2,(H,31,34)(H,32,35)
InChIKeyWWBNUPXWSXZUEL-UHFFFAOYSA-N
XLogP5.28
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.97
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide (CID 118521962) is N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is O=C(Nc1ccc(Cl)c(CN2CCC(C(=O)NC3CCCC3)CC2)c1)c1ccc(C(F)(F)F)cn1.
What is the InChIKey of N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is WWBNUPXWSXZUEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClF3N4O2/c26-21-7-6-20(32-24(35)22-8-5-18(14-30-22)25(27,28)29)13-17(21)15-33-11-9-16(10-12-33)23(34)31-19-3-1-2-4-19/h5-8,13-14,16,19H,1-4,9-12,15H2,(H,31,34)(H,32,35).
What are the key properties of N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide?
N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 508.97 g/mol, XLogP of 5.28, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 118521962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).