2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide

C14H17ClN4S — CID 61442720

IUPAC2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H17ClN4S/c1-8-6-9(2)18-14(12(8)13(16)17)19(3)7-10-4-5-11(15)20-10/h4-6H,7H2,1-3H3,(H3,16,17)
InChIKeyJRGJSKQIYXRYIT-UHFFFAOYSA-N
MW308.84 g/mol
LogP3.33
Rot. Bonds4

About 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide

2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61442720) has the molecular formula C14H17ClN4S and a molecular weight of 308.84 g/mol. Its IUPAC name is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61442720
Molecular FormulaC14H17ClN4S
Molecular Weight308.84 g/mol
Exact Mass308.09
IUPAC Name2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(C)cc(C)nc1N(C)Cc1ccc(Cl)s1
InChIInChI=1S/C14H17ClN4S/c1-8-6-9(2)18-14(12(8)13(16)17)19(3)7-10-4-5-11(15)20-10/h4-6H,7H2,1-3H3,(H3,16,17)
InChIKeyJRGJSKQIYXRYIT-UHFFFAOYSA-N
XLogP3.33
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.84
LogP ≤ 53.33
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

4,6-dimethyl-2-[methyl(thiophen-2-ylmethyl)amino]pyridine-3-carboximidamide
CID 61175593
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyrazine-2-carboximidamide
CID 55104411
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridazine-4-carboximidamide
CID 80513541
5-chloro-2-[(5-chlorothiophen-2-yl)methyl-methylamino]benzenecarboximidamide
CID 62494096
2-[2-ethoxyethyl(methyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 81055007
4,6-dimethyl-2-[methyl(2-methylsulfonylethyl)amino]pyridine-3-carboximidamide
CID 79849915
2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide
CID 61442075
2-[2-hydroxyethyl(propyl)amino]-4,6-dimethylpyridine-3-carboximidamide
CID 61424883
2-bromo-4-[(5-chlorothiophen-2-yl)methyl-methylamino]-3-fluorobenzenecarboximidamide
CID 107536381
4-[(5-chlorothiophen-2-yl)methoxy]-3,5-dimethylbenzenecarboximidamide
CID 65472321
5-bromo-4-N-[(5-chlorothiophen-2-yl)methyl]-4-N-methylpyrimidine-2,4-diamine
CID 80799071
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894387

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide (CID 61442720) is 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(C)cc(C)nc1N(C)Cc1ccc(Cl)s1.
What is the InChIKey of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is JRGJSKQIYXRYIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4S/c1-8-6-9(2)18-14(12(8)13(16)17)19(3)7-10-4-5-11(15)20-10/h4-6H,7H2,1-3H3,(H3,16,17).
What are the key properties of 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide?
2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 308.84 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chlorothiophen-2-yl)methyl-methylamino]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61442720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).