2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide

C14H15Cl2N3O — CID 60966983

IUPAC2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
SMILESN#CC1(NC(=O)c2cc(Cl)nc(Cl)c2)CCCCCC1
InChIInChI=1S/C14H15Cl2N3O/c15-11-7-10(8-12(16)18-11)13(20)19-14(9-17)5-3-1-2-4-6-14/h7-8H,1-6H2,(H,19,20)
InChIKeyZKTMBTQFBLTSKK-UHFFFAOYSA-N
MW312.20 g/mol
LogP3.73
Rot. Bonds2

About 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide

2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide (PubChem CID 60966983) has the molecular formula C14H15Cl2N3O and a molecular weight of 312.20 g/mol. Its IUPAC name is 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
PubChem CID60966983
Molecular FormulaC14H15Cl2N3O
Molecular Weight312.20 g/mol
Exact Mass311.06
IUPAC Name2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
SMILESN#CC1(NC(=O)c2cc(Cl)nc(Cl)c2)CCCCCC1
InChIInChI=1S/C14H15Cl2N3O/c15-11-7-10(8-12(16)18-11)13(20)19-14(9-17)5-3-1-2-4-6-14/h7-8H,1-6H2,(H,19,20)
InChIKeyZKTMBTQFBLTSKK-UHFFFAOYSA-N
XLogP3.73
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 53.73
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

N-(1-cyanocycloheptyl)-3,5-dihydroxybenzamide
CID 104938860
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
CID 60967531
3-bromo-5-chloro-N-(1-cyanocyclopentyl)benzamide
CID 103827162
5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
CID 107248634
4-chloro-N-(1-cyanocyclohexyl)-2-hydroxybenzamide
CID 60717137
6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide
CID 114036737
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
N-(1-cyanocyclohexyl)-3-hydroxy-4-methylbenzamide
CID 60718518
5-amino-2-chloro-N-(1-cyanocyclohexyl)benzamide
CID 110473984
N-(1-cyanocyclohexyl)-3,4-dimethyl-5-sulfamoylbenzamide
CID 86917827

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide (CID 60966983) is 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide is N#CC1(NC(=O)c2cc(Cl)nc(Cl)c2)CCCCCC1.
What is the InChIKey of 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide?
The InChIKey is ZKTMBTQFBLTSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O/c15-11-7-10(8-12(16)18-11)13(20)19-14(9-17)5-3-1-2-4-6-14/h7-8H,1-6H2,(H,19,20).
What are the key properties of 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide?
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide has a molecular weight of 312.20 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide is sourced from PubChem (CID 60966983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).