4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide

C13H19N3O — CID 43433255

IUPAC4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2ccccn2)CC1
InChIInChI=1S/C13H19N3O/c14-13(17)10-4-6-11(7-5-10)16-9-12-3-1-2-8-15-12/h1-3,8,10-11,16H,4-7,9H2,(H2,14,17)
InChIKeyWSVVEOSYMRWJIS-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.22
Rot. Bonds4

About 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide

4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide (PubChem CID 43433255) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
PubChem CID43433255
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide
SMILESNC(=O)C1CCC(NCc2ccccn2)CC1
InChIInChI=1S/C13H19N3O/c14-13(17)10-4-6-11(7-5-10)16-9-12-3-1-2-8-15-12/h1-3,8,10-11,16H,4-7,9H2,(H2,14,17)
InChIKeyWSVVEOSYMRWJIS-UHFFFAOYSA-N
XLogP1.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
oxalic acid;N-(pyridin-2-ylmethyl)cyclopentanamine
CID 17052919
cyclopropyl-[4-(pyridin-2-ylmethylamino)piperidin-1-yl]methanone
CID 43434771
4-N-cyclopropyl-1-N-(pyridin-2-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109144683
4-methyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65080736
N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43434617
4-(quinolin-6-ylmethylamino)cyclohexane-1-carboxamide
CID 61042772
N-(pyridin-2-ylmethyl)cyclopent-3-en-1-amine
CID 115696455
4-tert-butyl-N-(pyridin-2-ylmethyl)cycloheptan-1-amine
CID 65090954
1-[4-oxo-4-(pyridin-2-ylmethylamino)butanoyl]piperidine-4-carboxamide
CID 3485288
1-(2-pyridin-2-ylacetyl)piperidine-4-carboxamide
CID 110696934
cis-(1S,2R)-2-(pyridin-2-ylmethylamino)cyclohexan-1-ol
CID 93317478

Frequently Asked Questions

What is the IUPAC name of 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide?
The IUPAC name of 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide (CID 43433255) is 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide.
What is the SMILES notation for 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide?
The canonical SMILES for 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide is NC(=O)C1CCC(NCc2ccccn2)CC1.
What is the InChIKey of 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide?
The InChIKey is WSVVEOSYMRWJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c14-13(17)10-4-6-11(7-5-10)16-9-12-3-1-2-8-15-12/h1-3,8,10-11,16H,4-7,9H2,(H2,14,17).
What are the key properties of 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide?
4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyridin-2-ylmethylamino)cyclohexane-1-carboxamide is sourced from PubChem (CID 43433255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).