6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide

C16H23N3OS — CID 133378451

IUPAC6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC2CCCC2SCC)nc1
InChIInChI=1S/C16H23N3OS/c1-3-10-17-16(20)12-8-9-15(18-11-12)19-13-6-5-7-14(13)21-4-2/h3,8-9,11,13-14H,1,4-7,10H2,2H3,(H,17,20)(H,18,19)
InChIKeyOPMVEUUZMGZEJJ-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.08
Rot. Bonds7

About 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide

6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide (PubChem CID 133378451) has the molecular formula C16H23N3OS and a molecular weight of 305.45 g/mol. Its IUPAC name is 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
PubChem CID133378451
Molecular FormulaC16H23N3OS
Molecular Weight305.45 g/mol
Exact Mass305.16
IUPAC Name6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
SMILESC=CCNC(=O)c1ccc(NC2CCCC2SCC)nc1
InChIInChI=1S/C16H23N3OS/c1-3-10-17-16(20)12-8-9-15(18-11-12)19-13-6-5-7-14(13)21-4-2/h3,8-9,11,13-14H,1,4-7,10H2,2H3,(H,17,20)(H,18,19)
InChIKeyOPMVEUUZMGZEJJ-UHFFFAOYSA-N
XLogP3.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-prop-2-enyl-6-[[(1S,2R)-2-pyrazol-1-ylcyclohexyl]amino]pyridine-3-carboxamide
CID 96566222
6-[[(1R,2S)-2-(hydroxymethyl)-2-methylcyclopentyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97022282
6-[[(1R,3S)-3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 97017820
6-[[3-(propan-2-ylcarbamoyl)cyclohexyl]amino]-N-prop-2-enylpyridine-3-carboxamide
CID 71875696
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
CID 114122049
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893
6-[(2-cyclopentyl-2-hydroxyethyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133306917
6-(pentylamino)-N-prop-2-enylpyridine-3-carboxamide
CID 109151510
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133495372
6-[(2-cyclopropyloxan-4-yl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133473407
methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
CID 133492487
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The IUPAC name of 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide (CID 133378451) is 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The canonical SMILES for 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide is C=CCNC(=O)c1ccc(NC2CCCC2SCC)nc1.
What is the InChIKey of 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
The InChIKey is OPMVEUUZMGZEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3OS/c1-3-10-17-16(20)12-8-9-15(18-11-12)19-13-6-5-7-14(13)21-4-2/h3,8-9,11,13-14H,1,4-7,10H2,2H3,(H,17,20)(H,18,19).
What are the key properties of 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide?
6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide has a molecular weight of 305.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide is sourced from PubChem (CID 133378451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).