2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide

C15H23N3S — CID 114767474

IUPAC2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N(CCC(C)C)C2CC2)n1
InChIInChI=1S/C15H23N3S/c1-10(2)6-7-18(13-4-5-13)14-9-12(15(16)19)8-11(3)17-14/h8-10,13H,4-7H2,1-3H3,(H2,16,19)
InChIKeyUTDAOXKHOAVOJT-UHFFFAOYSA-N
MW277.44 g/mol
LogP3.04
Rot. Bonds6

About 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide

2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide (PubChem CID 114767474) has the molecular formula C15H23N3S and a molecular weight of 277.44 g/mol. Its IUPAC name is 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide.

Molecular Properties

Compound Name2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide
PubChem CID114767474
Molecular FormulaC15H23N3S
Molecular Weight277.44 g/mol
Exact Mass277.16
IUPAC Name2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide
SMILESCc1cc(C(N)=S)cc(N(CCC(C)C)C2CC2)n1
InChIInChI=1S/C15H23N3S/c1-10(2)6-7-18(13-4-5-13)14-9-12(15(16)19)8-11(3)17-14/h8-10,13H,4-7H2,1-3H3,(H2,16,19)
InChIKeyUTDAOXKHOAVOJT-UHFFFAOYSA-N
XLogP3.04
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[butyl(cyclopropyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767350
2-[cyclopentyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carbothioamide
CID 114767464
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
CID 114769116
4-[cyclopropyl(3-methylbutyl)amino]-3-fluorobenzenecarbothioamide
CID 78974421
4-N-cyclopropyl-2-methyl-4-N-(3-methylbutyl)pyrimidine-4,6-diamine
CID 80821013
3-bromo-4-[cyclopropyl(3-methylbutyl)amino]benzenecarbothioamide
CID 82804547
2-[cyclopropyl(3-methylbutyl)amino]pyrimidine-4-carbothioamide
CID 107547067
2-methyl-6-[methyl(propyl)amino]pyridine-4-carbothioamide
CID 114767217
2-[cyclobutylmethyl(ethyl)amino]-6-methylpyridine-4-carbothioamide
CID 107398831
2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-N-cyclopropyl-5-methyl-2-N-(3-methylbutyl)pyridine-2,4-diamine
CID 83265339
2-methyl-6-[methyl(oxolan-3-yl)amino]pyridine-4-carbothioamide
CID 114767884

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide?
The IUPAC name of 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide (CID 114767474) is 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide.
What is the SMILES notation for 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide?
The canonical SMILES for 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide is Cc1cc(C(N)=S)cc(N(CCC(C)C)C2CC2)n1.
What is the InChIKey of 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide?
The InChIKey is UTDAOXKHOAVOJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3S/c1-10(2)6-7-18(13-4-5-13)14-9-12(15(16)19)8-11(3)17-14/h8-10,13H,4-7H2,1-3H3,(H2,16,19).
What are the key properties of 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide?
2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide has a molecular weight of 277.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3-methylbutyl)amino]-6-methylpyridine-4-carbothioamide is sourced from PubChem (CID 114767474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).