5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide

C13H20N4OS — CID 114122049

IUPAC5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
SMILESCCSC1CCCC1Nc1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H20N4OS/c1-2-19-11-5-3-4-10(11)17-12-6-8(13(15)18)9(14)7-16-12/h6-7,10-11H,2-5,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyNQENBDALJPECOU-UHFFFAOYSA-N
MW280.40 g/mol
LogP1.85
Rot. Bonds5

About 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide

5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide (PubChem CID 114122049) has the molecular formula C13H20N4OS and a molecular weight of 280.40 g/mol. Its IUPAC name is 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
PubChem CID114122049
Molecular FormulaC13H20N4OS
Molecular Weight280.40 g/mol
Exact Mass280.14
IUPAC Name5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide
SMILESCCSC1CCCC1Nc1cc(C(N)=O)c(N)cn1
InChIInChI=1S/C13H20N4OS/c1-2-19-11-5-3-4-10(11)17-12-6-8(13(15)18)9(14)7-16-12/h6-7,10-11H,2-5,14H2,1H3,(H2,15,18)(H,16,17)
InChIKeyNQENBDALJPECOU-UHFFFAOYSA-N
XLogP1.85
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.40
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[(2-methoxycyclopentyl)amino]pyridine-4-carboxamide
CID 114090303
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]benzamide
CID 114122050
N-(2-ethylsulfanylcyclopentyl)-5-(trifluoromethyl)pyridin-2-amine
CID 103804882
6-[[(1S,2S)-2-ethylsulfanylcyclopentyl]amino]pyridine-3-carbonitrile
CID 96525974
6-[(2-ethylsulfanylcyclopentyl)amino]-N,N-dimethylpyridine-3-sulfonamide
CID 103804893
6-[(2-ethylsulfanylcyclopentyl)amino]-N-prop-2-enylpyridine-3-carboxamide
CID 133378451
5-amino-2-(2-bicyclo[2.2.1]heptanylamino)pyridine-4-carboxamide
CID 114090404
5-amino-2-[(2,2-dimethylcyclopentyl)amino]pyridine-4-carboxamide
CID 114090460
4-N-(2-ethylsulfanylcyclopentyl)pyrimidine-2,4,6-triamine
CID 114122138
5-amino-2-[(1-methylpiperidin-3-yl)amino]pyridine-4-carboxamide
CID 114090149
5-[(2-ethylsulfanylcyclopentyl)amino]pyridine-2-carbothioamide
CID 114121610
methyl 6-[(2-ethylsulfanylcyclopentyl)amino]-2-methoxypyridine-3-carboxylate
CID 133492487

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide (CID 114122049) is 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide is CCSC1CCCC1Nc1cc(C(N)=O)c(N)cn1.
What is the InChIKey of 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide?
The InChIKey is NQENBDALJPECOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4OS/c1-2-19-11-5-3-4-10(11)17-12-6-8(13(15)18)9(14)7-16-12/h6-7,10-11H,2-5,14H2,1H3,(H2,15,18)(H,16,17).
What are the key properties of 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide?
5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide has a molecular weight of 280.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2-ethylsulfanylcyclopentyl)amino]pyridine-4-carboxamide is sourced from PubChem (CID 114122049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).