N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide

C25H24N4O — CID 26132145

IUPACN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C25H24N4O/c1-29(2)17-19-9-7-18(8-10-19)16-27-25(30)22-15-24(20-11-13-26-14-12-20)28-23-6-4-3-5-21(22)23/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyWTJSYAFNAUOBJE-UHFFFAOYSA-N
MW396.49 g/mol
LogP4.29
Rot. Bonds6

About N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 26132145) has the molecular formula C25H24N4O and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID26132145
Molecular FormulaC25H24N4O
Molecular Weight396.49 g/mol
Exact Mass396.20
IUPAC NameN-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCN(C)Cc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1
InChIInChI=1S/C25H24N4O/c1-29(2)17-19-9-7-18(8-10-19)16-27-25(30)22-15-24(20-11-13-26-14-12-20)28-23-6-4-3-5-21(22)23/h3-15H,16-17H2,1-2H3,(H,27,30)
InChIKeyWTJSYAFNAUOBJE-UHFFFAOYSA-N
XLogP4.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
N-(2-phenylethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 4082729
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72868649
N-[(3-carbamoylphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 32636581
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55794770
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72866318
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-4-carboxamide
CID 42749444
N-[[4-(dimethylcarbamoyl)phenyl]methyl]-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 46541669

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 26132145) is N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide is CN(C)Cc1ccc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)cc1.
What is the InChIKey of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is WTJSYAFNAUOBJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O/c1-29(2)17-19-9-7-18(8-10-19)16-27-25(30)22-15-24(20-11-13-26-14-12-20)28-23-6-4-3-5-21(22)23/h3-15H,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 4.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 26132145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).