N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

C21H19N5OS — CID 72866318

IUPACN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCSc1ncc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1C
InChIInChI=1S/C21H19N5OS/c1-26-15(13-24-21(26)28-2)12-23-20(27)17-11-19(14-7-9-22-10-8-14)25-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyBKWXEJBNXOUXIB-UHFFFAOYSA-N
MW389.48 g/mol
LogP3.68
Rot. Bonds5

About N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 72866318) has the molecular formula C21H19N5OS and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID72866318
Molecular FormulaC21H19N5OS
Molecular Weight389.48 g/mol
Exact Mass389.13
IUPAC NameN-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCSc1ncc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1C
InChIInChI=1S/C21H19N5OS/c1-26-15(13-24-21(26)28-2)12-23-20(27)17-11-19(14-7-9-22-10-8-14)25-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,23,27)
InChIKeyBKWXEJBNXOUXIB-UHFFFAOYSA-N
XLogP3.68
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72868649
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55794770
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 49354549
N-(3,3-diphenylpropyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3457681
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-(3-hydroxybutyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 111428934

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 72866318) is N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is CSc1ncc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)n1C.
What is the InChIKey of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is BKWXEJBNXOUXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5OS/c1-26-15(13-24-21(26)28-2)12-23-20(27)17-11-19(14-7-9-22-10-8-14)25-18-6-4-3-5-16(17)18/h3-11,13H,12H2,1-2H3,(H,23,27).
What are the key properties of N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 389.48 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 72866318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).