2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide

C15H18N4S — CID 114768951

IUPAC2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C15H18N4S/c1-10-7-11(15(16)17)8-14(18-10)19(12-4-5-12)9-13-3-2-6-20-13/h2-3,6-8,12H,4-5,9H2,1H3,(H3,16,17)
InChIKeyIGWDXTZYRTWXRI-UHFFFAOYSA-N
MW286.40 g/mol
LogP2.90
Rot. Bonds5

About 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide

2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide (PubChem CID 114768951) has the molecular formula C15H18N4S and a molecular weight of 286.40 g/mol. Its IUPAC name is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide
PubChem CID114768951
Molecular FormulaC15H18N4S
Molecular Weight286.40 g/mol
Exact Mass286.13
IUPAC Name2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1cc(C)nc(N(Cc2cccs2)C2CC2)c1
InChIInChI=1S/C15H18N4S/c1-10-7-11(15(16)17)8-14(18-10)19(12-4-5-12)9-13-3-2-6-20-13/h2-3,6-8,12H,4-5,9H2,1H3,(H3,16,17)
InChIKeyIGWDXTZYRTWXRI-UHFFFAOYSA-N
XLogP2.90
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[cyclobutyl(2-hydroxyethyl)amino]-6-methylpyridine-4-carboximidamide
CID 102863039
2-methyl-6-(thiophen-2-ylmethoxy)pyridine-4-carboximidamide
CID 114769321
2-[cyclopentyl(3-methylbutyl)amino]-6-methylpyridine-4-carboximidamide
CID 114769116
4,6-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61175593
[2-[cyclopropyl(thiophen-2-ylmethyl)amino]-4,6-dimethyl-3-pyridinyl]methanol
CID 61449696
2-[cyclopropylmethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768906
2-methyl-6-[methyl(thiophen-2-ylmethyl)amino]pyridine-4-carbothioamide
CID 114767240
4-[cyclopropyl(thiophen-2-ylmethyl)amino]-3,5-difluorobenzenecarbothioamide
CID 81286907
2-[ethyl(thiophen-2-ylmethyl)amino]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013460
2-methyl-6-[methyl(thiophen-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 114768881
4-N-cyclopropyl-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 80808750
2-[ethyl(methyl)amino]-6-methylpyridine-4-carboximidamide
CID 114768868

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide?
The IUPAC name of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide (CID 114768951) is 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide.
What is the SMILES notation for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide?
The canonical SMILES for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide is [H]/N=C(\N)c1cc(C)nc(N(Cc2cccs2)C2CC2)c1.
What is the InChIKey of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide?
The InChIKey is IGWDXTZYRTWXRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4S/c1-10-7-11(15(16)17)8-14(18-10)19(12-4-5-12)9-13-3-2-6-20-13/h2-3,6-8,12H,4-5,9H2,1H3,(H3,16,17).
What are the key properties of 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide?
2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide has a molecular weight of 286.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(thiophen-2-ylmethyl)amino]-6-methylpyridine-4-carboximidamide is sourced from PubChem (CID 114768951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).