5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide

C18H20ClN3O — CID 71730774

IUPAC5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1cncc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O/c19-17-3-1-2-14(9-17)15-8-16(12-21-11-15)18(23)22-10-13-4-6-20-7-5-13/h1-3,8-9,11-13,20H,4-7,10H2,(H,22,23)
InChIKeyNBWFOCNQEUOCOW-UHFFFAOYSA-N
MW329.83 g/mol
LogP3.13
Rot. Bonds4

About 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide

5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide (PubChem CID 71730774) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
PubChem CID71730774
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCNCC1)c1cncc(-c2cccc(Cl)c2)c1
InChIInChI=1S/C18H20ClN3O/c19-17-3-1-2-14(9-17)15-8-16(12-21-11-15)18(23)22-10-13-4-6-20-7-5-13/h1-3,8-9,11-13,20H,4-7,10H2,(H,22,23)
InChIKeyNBWFOCNQEUOCOW-UHFFFAOYSA-N
XLogP3.13
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide (CID 71730774) is 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide is O=C(NCC1CCNCC1)c1cncc(-c2cccc(Cl)c2)c1.
What is the InChIKey of 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide?
The InChIKey is NBWFOCNQEUOCOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-17-3-1-2-14(9-17)15-8-16(12-21-11-15)18(23)22-10-13-4-6-20-7-5-13/h1-3,8-9,11-13,20H,4-7,10H2,(H,22,23).
What are the key properties of 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide?
5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-N-(piperidin-4-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 71730774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).