N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide

C11H14ClN3O — CID 81426071

IUPACN-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)C1CCCNC1
InChIInChI=1S/C11H14ClN3O/c12-10-4-3-9(7-14-10)15-11(16)8-2-1-5-13-6-8/h3-4,7-8,13H,1-2,5-6H2,(H,15,16)
InChIKeyDKVVJFCRVSGSAF-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.67
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide

N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide (PubChem CID 81426071) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
PubChem CID81426071
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC NameN-(6-chloro-3-pyridinyl)piperidine-3-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)C1CCCNC1
InChIInChI=1S/C11H14ClN3O/c12-10-4-3-9(7-14-10)15-11(16)8-2-1-5-13-6-8/h3-4,7-8,13H,1-2,5-6H2,(H,15,16)
InChIKeyDKVVJFCRVSGSAF-UHFFFAOYSA-N
XLogP1.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-chlorophenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119864063
N-(6-chloro-3-pyridinyl)bicyclo[3.3.1]nonane-3-carboxamide
CID 146095511
(3S)-N-[4-(dimethylamino)phenyl]piperidine-3-carboxamide
CID 28807397
(3R)-N-(4,6-dichloropyrimidin-5-yl)piperidine-3-carboxamide
CID 114074295
(3R)-N-(3,5-dichloro-4-hydroxyphenyl)piperidine-3-carboxamide
CID 107680359
N-[4-(oxolane-2-carbonylamino)phenyl]piperidine-3-carboxamide
CID 119282784
(3R)-N-(4-carbamoyl-3-chlorophenyl)piperidine-3-carboxamide
CID 81124281
(3R)-N-(4-chloro-3-methoxyphenyl)piperidine-3-carboxamide
CID 107621709
N-[6-(2,3-dimethylphenoxy)-3-pyridinyl]piperidine-3-carboxamide
CID 119888472
N-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 63006642
(3S)-N-[4-(pyrrolidin-1-ylmethyl)phenyl]piperidine-3-carboxamide
CID 81119070
N-[4-(1H-imidazol-2-yl)phenyl]piperidine-3-carboxamide
CID 110471952

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide (CID 81426071) is N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide is O=C(Nc1ccc(Cl)nc1)C1CCCNC1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide?
The InChIKey is DKVVJFCRVSGSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O/c12-10-4-3-9(7-14-10)15-11(16)8-2-1-5-13-6-8/h3-4,7-8,13H,1-2,5-6H2,(H,15,16).
What are the key properties of N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide?
N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide has a molecular weight of 239.71 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)piperidine-3-carboxamide is sourced from PubChem (CID 81426071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).