6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide

C14H16ClN3O — CID 60967531

IUPAC6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Cl)nc2)CCCCCC1
InChIInChI=1S/C14H16ClN3O/c15-12-6-5-11(9-17-12)13(19)18-14(10-16)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,18,19)
InChIKeyQSROHGZBDNOOKZ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.08
Rot. Bonds2

About 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide

6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide (PubChem CID 60967531) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
PubChem CID60967531
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide
SMILESN#CC1(NC(=O)c2ccc(Cl)nc2)CCCCCC1
InChIInChI=1S/C14H16ClN3O/c15-12-6-5-11(9-17-12)13(19)18-14(10-16)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,18,19)
InChIKeyQSROHGZBDNOOKZ-UHFFFAOYSA-N
XLogP3.08
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.08
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

5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
CID 107248634
N-(1-cyanocyclohexyl)pyridazine-4-carboxamide
CID 112705399
2,6-dichloro-N-(1-cyanocycloheptyl)pyridine-4-carboxamide
CID 60966983
N-(1-cyanocyclohexyl)-4-hydroxybenzamide
CID 60717123
6-chloro-N-(1-cyanocyclopentyl)pyridazine-3-carboxamide
CID 114036737
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
N-(1-cyanocycloheptyl)-4-(dimethylamino)benzamide
CID 60966830
N-(1-cyanocyclopentyl)-4-fluorobenzamide
CID 60660161
4-chloro-N-(1-cyanocyclohexyl)pyridine-2-carboxamide
CID 78831230
6-(4-bromophenoxy)-N-(1-cyanocyclopentyl)pyridine-3-carboxamide
CID 87017609
N-(1-cyanocyclopentyl)-4-(dimethylamino)benzamide
CID 60704670
2-chloro-N-(1-cyanocyclopentyl)-5-nitropyridine-4-carboxamide
CID 103733579

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide (CID 60967531) is 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide is N#CC1(NC(=O)c2ccc(Cl)nc2)CCCCCC1.
What is the InChIKey of 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide?
The InChIKey is QSROHGZBDNOOKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-12-6-5-11(9-17-12)13(19)18-14(10-16)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,18,19).
What are the key properties of 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide?
6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyanocycloheptyl)pyridine-3-carboxamide is sourced from PubChem (CID 60967531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).