N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide

C18H20N2O2S — CID 46986860

IUPACN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1cccnc1SC)C1CC1
InChIInChI=1S/C18H20N2O2S/c1-22-16-8-4-3-6-13(16)12-20(14-9-10-14)18(21)15-7-5-11-19-17(15)23-2/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyOLLHQULKXDCQPM-UHFFFAOYSA-N
MW328.44 g/mol
LogP3.62
Rot. Bonds6

About N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide

N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 46986860) has the molecular formula C18H20N2O2S and a molecular weight of 328.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID46986860
Molecular FormulaC18H20N2O2S
Molecular Weight328.44 g/mol
Exact Mass328.12
IUPAC NameN-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCOc1ccccc1CN(C(=O)c1cccnc1SC)C1CC1
InChIInChI=1S/C18H20N2O2S/c1-22-16-8-4-3-6-13(16)12-20(14-9-10-14)18(21)15-7-5-11-19-17(15)23-2/h3-8,11,14H,9-10,12H2,1-2H3
InChIKeyOLLHQULKXDCQPM-UHFFFAOYSA-N
XLogP3.62
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide 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

N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 2525601
2-[cyclopentyl-(2-methylsulfanylpyridine-3-carbonyl)amino]acetic acid
CID 60825582
N-cyclopropyl-3-ethoxy-4-methoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 87027506
N-cyclopropyl-2-ethoxy-N-[(2-fluorophenyl)methyl]benzamide
CID 55391046
N-[(3,4-dimethoxyphenyl)methyl]-N-methyl-2-methylsulfanylpyridine-3-carboxamide
CID 18111604
ethyl N-cyclopropyl-N-[(2-methoxyphenyl)methyl]carbamate
CID 61068925
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-4-pyrazol-1-ylpyridine-2-carboxamide
CID 122140934
4-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]benzamide;hydrochloride
CID 119284935
N-(2,3-dihydro-1H-inden-2-yl)-N-[(2-methoxyphenyl)methyl]-2-phenylbenzamide
CID 69326258
(2R)-2-amino-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]propanamide
CID 54995705
N-[(3R)-1,1-dioxothiolan-3-yl]-2-methylsulfanyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 39951869
5-(aminomethyl)-N-cyclopropyl-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 91659471

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide (CID 46986860) is N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide is COc1ccccc1CN(C(=O)c1cccnc1SC)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is OLLHQULKXDCQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O2S/c1-22-16-8-4-3-6-13(16)12-20(14-9-10-14)18(21)15-7-5-11-19-17(15)23-2/h3-8,11,14H,9-10,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide?
N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 328.44 g/mol, XLogP of 3.62, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-methoxyphenyl)methyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 46986860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).