1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide

C13H18ClN3O — CID 79039473

IUPAC1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cccc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O/c1-15-13(18)10-5-7-17(8-6-10)9-11-3-2-4-12(14)16-11/h2-4,10H,5-9H2,1H3,(H,15,18)
InChIKeyHQMYQDGMBVWWRX-UHFFFAOYSA-N
MW267.76 g/mol
LogP1.69
Rot. Bonds3

About 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide

1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide (PubChem CID 79039473) has the molecular formula C13H18ClN3O and a molecular weight of 267.76 g/mol. Its IUPAC name is 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
PubChem CID79039473
Molecular FormulaC13H18ClN3O
Molecular Weight267.76 g/mol
Exact Mass267.11
IUPAC Name1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide
SMILESCNC(=O)C1CCN(Cc2cccc(Cl)n2)CC1
InChIInChI=1S/C13H18ClN3O/c1-15-13(18)10-5-7-17(8-6-10)9-11-3-2-4-12(14)16-11/h2-4,10H,5-9H2,1H3,(H,15,18)
InChIKeyHQMYQDGMBVWWRX-UHFFFAOYSA-N
XLogP1.69
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-6-(piperidin-1-ylmethyl)pyridine
CID 13388686
1-[(6-chloro-2-pyridinyl)methyl]-4-ethylazepane
CID 79038526
1-[(6-chloro-2-pyridinyl)methyl]-4-cyclopropylpiperazine
CID 79038510
[1-[(6-chloro-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 79037993
1-[(2-hydroxy-3-methylphenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 112553393
2-chloro-6-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]pyridine
CID 79037923
1-[4-[(6-chloro-2-pyridinyl)methyl]piperazin-1-yl]-2-methylpropan-2-ol
CID 79038456
1-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methylpiperidine-4-carboxamide
CID 42542422
1-[(2-amino-5-chlorophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 79582712
1-[(2-amino-6-bromophenyl)methyl]-N-methylpiperidine-4-carboxamide
CID 43575533
1-[[4-(ethylamino)-2-pyridinyl]methyl]-N-methylpiperidine-4-carboxamide
CID 79245258
N-methyl-1-[[5-(propylamino)pyrazin-2-yl]methyl]piperidine-4-carboxamide
CID 103056085

Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The IUPAC name of 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide (CID 79039473) is 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide.
What is the SMILES notation for 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The canonical SMILES for 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide is CNC(=O)C1CCN(Cc2cccc(Cl)n2)CC1.
What is the InChIKey of 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
The InChIKey is HQMYQDGMBVWWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O/c1-15-13(18)10-5-7-17(8-6-10)9-11-3-2-4-12(14)16-11/h2-4,10H,5-9H2,1H3,(H,15,18).
What are the key properties of 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide?
1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide has a molecular weight of 267.76 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-2-pyridinyl)methyl]-N-methylpiperidine-4-carboxamide is sourced from PubChem (CID 79039473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).