methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate

C13H13N3O2S — CID 7306826

IUPACmethyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate
SMILESCO/C(=N\Cc1cccnc1)NC(=O)c1cccs1
InChIInChI=1S/C13H13N3O2S/c1-18-13(15-9-10-4-2-6-14-8-10)16-12(17)11-5-3-7-19-11/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyLYMSZRHIIRIWQE-UHFFFAOYSA-N
MW275.33 g/mol
LogP2.08
Rot. Bonds3

About methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate

methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate (PubChem CID 7306826) has the molecular formula C13H13N3O2S and a molecular weight of 275.33 g/mol. Its IUPAC name is methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate.

Molecular Properties

Compound Namemethyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate
PubChem CID7306826
Molecular FormulaC13H13N3O2S
Molecular Weight275.33 g/mol
Exact Mass275.07
IUPAC Namemethyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate
SMILESCO/C(=N\Cc1cccnc1)NC(=O)c1cccs1
InChIInChI=1S/C13H13N3O2S/c1-18-13(15-9-10-4-2-6-14-8-10)16-12(17)11-5-3-7-19-11/h2-8H,9H2,1H3,(H,15,16,17)
InChIKeyLYMSZRHIIRIWQE-UHFFFAOYSA-N
XLogP2.08
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl N-(4-fluorobenzoyl)-N'-(pyridin-3-ylmethyl)carbamimidate
CID 4125300
propan-2-yl N'-benzyl-N-(thiophene-2-carbonyl)carbamimidate
CID 7288444
ethyl N-(3-methoxybenzoyl)-N'-(pyridin-3-ylmethyl)carbamimidate
CID 7212555
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide
CID 30889612
[4-(thiophene-2-carbonylamino)phenyl] 3-pyridin-3-ylpropanoate
CID 36666034
2-methoxyethyl N'-propyl-N-(thiophene-2-carbonyl)carbamimidate
CID 7361978
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
CID 44995257
N-[(2R)-2-[4-[[4-(pyridin-3-ylmethyl)piperazin-1-yl]methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 125155019
N-(1-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 42889829
N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55483676

Frequently Asked Questions

What is the IUPAC name of methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate?
The IUPAC name of methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate (CID 7306826) is methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate.
What is the SMILES notation for methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate?
The canonical SMILES for methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate is CO/C(=N\Cc1cccnc1)NC(=O)c1cccs1.
What is the InChIKey of methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate?
The InChIKey is LYMSZRHIIRIWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2S/c1-18-13(15-9-10-4-2-6-14-8-10)16-12(17)11-5-3-7-19-11/h2-8H,9H2,1H3,(H,15,16,17).
What are the key properties of methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate?
methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate has a molecular weight of 275.33 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N'-(pyridin-3-ylmethyl)-N-(thiophene-2-carbonyl)carbamimidate is sourced from PubChem (CID 7306826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).