N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

C21H17N3OS — CID 55794770

IUPACN-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1
InChIInChI=1S/C21H17N3OS/c1-14-6-7-16(26-14)13-23-21(25)18-12-20(15-8-10-22-11-9-15)24-19-5-3-2-4-17(18)19/h2-12H,13H2,1H3,(H,23,25)
InChIKeyOTGZEEGMXLBFTB-UHFFFAOYSA-N
MW359.45 g/mol
LogP4.60
Rot. Bonds4

About N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 55794770) has the molecular formula C21H17N3OS and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID55794770
Molecular FormulaC21H17N3OS
Molecular Weight359.45 g/mol
Exact Mass359.11
IUPAC NameN-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1
InChIInChI=1S/C21H17N3OS/c1-14-6-7-16(26-14)13-23-21(25)18-12-20(15-8-10-22-11-9-15)24-19-5-3-2-4-17(18)19/h2-12H,13H2,1H3,(H,23,25)
InChIKeyOTGZEEGMXLBFTB-UHFFFAOYSA-N
XLogP4.60
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-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-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72868649
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 49354549

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 55794770) is N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is Cc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)s1.
What is the InChIKey of N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is OTGZEEGMXLBFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3OS/c1-14-6-7-16(26-14)13-23-21(25)18-12-20(15-8-10-22-11-9-15)24-19-5-3-2-4-17(18)19/h2-12H,13H2,1H3,(H,23,25).
What are the key properties of N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 359.45 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 55794770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).