3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide

C13H15ClN4S — CID 62894387

IUPAC3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN4S/c1-18(8-10-4-5-11(14)19-10)7-9-3-2-6-17-12(9)13(15)16/h2-6H,7-8H2,1H3,(H3,15,16)
InChIKeyDYGWOXJWNCQBAG-UHFFFAOYSA-N
MW294.81 g/mol
LogP2.71
Rot. Bonds5

About 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide

3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide (PubChem CID 62894387) has the molecular formula C13H15ClN4S and a molecular weight of 294.81 g/mol. Its IUPAC name is 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
PubChem CID62894387
Molecular FormulaC13H15ClN4S
Molecular Weight294.81 g/mol
Exact Mass294.07
IUPAC Name3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN(C)Cc1ccc(Cl)s1
InChIInChI=1S/C13H15ClN4S/c1-18(8-10-4-5-11(14)19-10)7-9-3-2-6-17-12(9)13(15)16/h2-6H,7-8H2,1H3,(H3,15,16)
InChIKeyDYGWOXJWNCQBAG-UHFFFAOYSA-N
XLogP2.71
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.81
LogP ≤ 52.71
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

3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyrazine-2-carboximidamide
CID 55104411
3-[[2-(dimethylamino)ethyl-methylamino]methyl]pyridine-2-carboximidamide
CID 63694039
3-[[2-hydroxyethyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62894381
3-[[methyl(thiophen-3-ylmethyl)amino]methyl]pyridine-2-carboximidamide
CID 62893526
3-[[2-hydroxypropyl(methyl)amino]methyl]pyridine-2-carboximidamide
CID 62895415
3-[(N-methylanilino)methyl]pyridine-2-carboximidamide
CID 55128400
3-(diethylaminomethyl)pyridine-2-carboximidamide
CID 62895902
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]pyridine-2-carboximidamide
CID 81056406
3-[[[1-(dimethylamino)cyclobutyl]methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 105415064
3-[[(3-methoxyphenyl)methyl-methylamino]methyl]pyridine-2-carboximidamide
CID 62894551
2-[(5-chlorothiophen-2-yl)methyl-methylamino]ethanimidamide
CID 61442075
3-[(5-chlorothiophen-2-yl)methyl-methylamino]pyridazine-4-carboximidamide
CID 80513541

Frequently Asked Questions

What is the IUPAC name of 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide (CID 62894387) is 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN(C)Cc1ccc(Cl)s1.
What is the InChIKey of 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide?
The InChIKey is DYGWOXJWNCQBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4S/c1-18(8-10-4-5-11(14)19-10)7-9-3-2-6-17-12(9)13(15)16/h2-6H,7-8H2,1H3,(H3,15,16).
What are the key properties of 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide?
3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide has a molecular weight of 294.81 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5-chlorothiophen-2-yl)methyl-methylamino]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62894387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).