4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide

C15H23N3O — CID 133471325

IUPAC4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
SMILESCC1CCCC(CCNc2ccncc2C(N)=O)C1
InChIInChI=1S/C15H23N3O/c1-11-3-2-4-12(9-11)5-8-18-14-6-7-17-10-13(14)15(16)19/h6-7,10-12H,2-5,8-9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyMRGZEHSJLQRCKS-UHFFFAOYSA-N
MW261.37 g/mol
LogP2.81
Rot. Bonds5

About 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide

4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide (PubChem CID 133471325) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
PubChem CID133471325
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide
SMILESCC1CCCC(CCNc2ccncc2C(N)=O)C1
InChIInChI=1S/C15H23N3O/c1-11-3-2-4-12(9-11)5-8-18-14-6-7-17-10-13(14)15(16)19/h6-7,10-12H,2-5,8-9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyMRGZEHSJLQRCKS-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N'-Methylnicotinamide
CID 64950
Ximelegatran
CID 448042
N-Ethylnicotinamide
CID 78007
N-(4-pyridyl)benzamide
CID 78893
3,5-Dimethyl-N-(4-pyridinylmethyl)benzamide
CID 40146
Nicotinanilide
CID 74463
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
N-(3-phenylpropyl)pyridine-3-carboxamide
CID 4648643
4-Methyl-N-4-pyridinylbenzamide
CID 84517
Pyridinium, 3-(aminocarbonyl)-1-(phenylmethyl)-, chloride (1:1)
CID 78774
Phenatine
CID 120640
6-Methylnicotinamide
CID 96351

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide (CID 133471325) is 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide is CC1CCCC(CCNc2ccncc2C(N)=O)C1.
What is the InChIKey of 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide?
The InChIKey is MRGZEHSJLQRCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11-3-2-4-12(9-11)5-8-18-14-6-7-17-10-13(14)15(16)19/h6-7,10-12H,2-5,8-9H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide?
4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide has a molecular weight of 261.37 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-methylcyclohexyl)ethylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133471325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).