2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide

C17H18ClN3O — CID 113024603

IUPAC2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O/c18-15-7-3-2-6-14(15)17(22)20-16-9-8-13(12-19-16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20,22)
InChIKeyKVWMSZNGJHCHAU-UHFFFAOYSA-N
MW315.80 g/mol
LogP3.98
Rot. Bonds3

About 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide

2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide (PubChem CID 113024603) has the molecular formula C17H18ClN3O and a molecular weight of 315.80 g/mol. Its IUPAC name is 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
PubChem CID113024603
Molecular FormulaC17H18ClN3O
Molecular Weight315.80 g/mol
Exact Mass315.11
IUPAC Name2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide
SMILESO=C(Nc1ccc(N2CCCCC2)cn1)c1ccccc1Cl
InChIInChI=1S/C17H18ClN3O/c18-15-7-3-2-6-14(15)17(22)20-16-9-8-13(12-19-16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20,22)
InChIKeyKVWMSZNGJHCHAU-UHFFFAOYSA-N
XLogP3.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.80
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-(5-piperazin-1-yl-2-pyridinyl)benzamide;hydrochloride
CID 119494622
2,3-dichloro-N-[1-oxo-1-[(5-piperidin-1-yl-2-pyridinyl)amino]propan-2-yl]benzamide
CID 78901120
2-N,5-N-bis(5-piperidin-1-yl-2-pyridinyl)thiophene-2,5-dicarboxamide
CID 112827563
4-methoxy-N-(5-piperidin-1-yl-2-pyridinyl)naphthalene-1-carboxamide
CID 112827556
3-chloro-N-(5-pyrrolidin-1-yl-2-pyridinyl)-1-benzothiophene-2-carboxamide
CID 32948486
3-(2-chlorophenyl)-5-methyl-N-(5-piperidin-1-yl-2-pyridinyl)-1,2-oxazole-4-carboxamide
CID 75479899
1-[(2-chlorophenyl)methyl]-6-oxo-N-(5-piperidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 112827539
N-[5-(azepan-1-yl)-2-pyridinyl]propanamide
CID 39072195
N-[5-(azepan-1-yl)-2-pyridinyl]cyclobutanecarboxamide
CID 113031088
2-chloro-N-[2,4-di(piperidin-1-yl)phenyl]benzamide
CID 2954012
4-methyl-N-(5-pyrrolidin-1-yl-2-pyridinyl)benzamide
CID 32947923
6-pyrrolidin-1-yl-N-(5-pyrrolidin-1-yl-2-pyridinyl)pyridine-3-carboxamide
CID 154735988

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
The IUPAC name of 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide (CID 113024603) is 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide.
What is the SMILES notation for 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
The canonical SMILES for 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide is O=C(Nc1ccc(N2CCCCC2)cn1)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
The InChIKey is KVWMSZNGJHCHAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O/c18-15-7-3-2-6-14(15)17(22)20-16-9-8-13(12-19-16)21-10-4-1-5-11-21/h2-3,6-9,12H,1,4-5,10-11H2,(H,19,20,22).
What are the key properties of 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide?
2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide has a molecular weight of 315.80 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-piperidin-1-yl-2-pyridinyl)benzamide is sourced from PubChem (CID 113024603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).