3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide

C13H16Cl2N2O — CID 106132458

IUPAC3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCCC(Cl)C1)c1ccncc1Cl
InChIInChI=1S/C13H16Cl2N2O/c14-10-3-1-2-9(6-10)7-17-13(18)11-4-5-16-8-12(11)15/h4-5,8-10H,1-3,6-7H2,(H,17,18)
InChIKeyOHXYWTAHMARJPZ-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.26
Rot. Bonds3

About 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide

3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide (PubChem CID 106132458) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
PubChem CID106132458
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCCC(Cl)C1)c1ccncc1Cl
InChIInChI=1S/C13H16Cl2N2O/c14-10-3-1-2-9(6-10)7-17-13(18)11-4-5-16-8-12(11)15/h4-5,8-10H,1-3,6-7H2,(H,17,18)
InChIKeyOHXYWTAHMARJPZ-UHFFFAOYSA-N
XLogP3.26
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
N-[(4-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106134901
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 66484559
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 66484887
N-[[1-(4-aminopyrimidin-2-yl)piperidin-3-yl]methyl]-3-chloropyridine-4-carboxamide
CID 131891940
3-chloro-N-(2-piperidin-3-ylethyl)pyridine-4-carboxamide;dihydrochloride
CID 119557407
N-[(3-chlorocyclohexyl)methyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 106131984

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide (CID 106132458) is 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide is O=C(NCC1CCCC(Cl)C1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide?
The InChIKey is OHXYWTAHMARJPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c14-10-3-1-2-9(6-10)7-17-13(18)11-4-5-16-8-12(11)15/h4-5,8-10H,1-3,6-7H2,(H,17,18).
What are the key properties of 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 106132458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).