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

3-bromo-N-[2-(3-methylcyclohexyl)ethyl]pyridin-4-amine
CID 104777079
3-amino-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105070285
3-(ethylamino)-N-[2-(3-methylcyclohexyl)ethyl]pyridine-4-carboxamide
CID 105070287
3-N-[2-(3-methylcyclohexyl)ethyl]pyridine-2,3-diamine
CID 104540431
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
2-bromo-3-fluoro-4-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 107540332
2-amino-3-fluoro-6-[2-(3-methylcyclohexyl)ethylamino]benzoic acid
CID 83205945
2-methyl-4-[2-(3-methylcyclohexyl)ethylamino]benzenecarbothioamide
CID 81277917
3-fluoro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 105382378
4-iodo-1-N-[2-(3-methylcyclohexyl)ethyl]benzene-1,2-diamine
CID 66079741
3-chloro-N-[2-(4-methylcyclohexyl)ethyl]pyridin-4-amine
CID 79840811
5-chloro-2-[2-(3-methylcyclohexyl)ethylamino]pyridine-4-carboxylic acid
CID 114919693

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).