1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

C14H17Cl2N3O2 — CID 60637345

IUPAC1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-18(2)13(20)9-3-5-19(6-4-9)14(21)10-7-11(15)12(16)17-8-10/h7-9H,3-6H2,1-2H3
InChIKeyDWVARNJIGIRBTE-UHFFFAOYSA-N
MW330.22 g/mol
LogP2.33
Rot. Bonds2

About 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide

1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (PubChem CID 60637345) has the molecular formula C14H17Cl2N3O2 and a molecular weight of 330.22 g/mol. Its IUPAC name is 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.

Molecular Properties

Compound Name1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
PubChem CID60637345
Molecular FormulaC14H17Cl2N3O2
Molecular Weight330.22 g/mol
Exact Mass329.07
IUPAC Name1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
SMILESCN(C)C(=O)C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1
InChIInChI=1S/C14H17Cl2N3O2/c1-18(2)13(20)9-3-5-19(6-4-9)14(21)10-7-11(15)12(16)17-8-10/h7-9H,3-6H2,1-2H3
InChIKeyDWVARNJIGIRBTE-UHFFFAOYSA-N
XLogP2.33
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.22
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 47124151
(5,6-dichloro-3-pyridinyl)-(3-hydroxy-4-methylpiperidin-1-yl)methanone
CID 103900302
1-(2-fluoropyridine-4-carbonyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61292738
1-(3,4-difluorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 110350822
[5-chloro-6-(methylamino)-3-pyridinyl]-[4-[(dimethylamino)methyl]piperidin-1-yl]methanone
CID 62181222
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586
1-[3-chloro-5-(morpholine-4-carbonyl)-2-pyridinyl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 133331240
1-(2-amino-5-chlorobenzoyl)-N,N-dimethylpiperidine-4-carboxamide
CID 61106212
(5,6-dichloro-3-pyridinyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 62330677
[5-chloro-6-(cyclopentylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270710
[5-chloro-6-[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]amino]-3-pyridinyl]-piperidin-1-ylmethanone
CID 133270949
1-(5-chloro-6-ethoxypyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 120533892

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The IUPAC name of 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide (CID 60637345) is 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide.
What is the SMILES notation for 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The canonical SMILES for 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is CN(C)C(=O)C1CCN(C(=O)c2cnc(Cl)c(Cl)c2)CC1.
What is the InChIKey of 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
The InChIKey is DWVARNJIGIRBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3O2/c1-18(2)13(20)9-3-5-19(6-4-9)14(21)10-7-11(15)12(16)17-8-10/h7-9H,3-6H2,1-2H3.
What are the key properties of 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide?
1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide has a molecular weight of 330.22 g/mol, XLogP of 2.33, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dichloropyridine-3-carbonyl)-N,N-dimethylpiperidine-4-carboxamide is sourced from PubChem (CID 60637345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).