N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

C24H22N4O2 — CID 49354549

IUPACN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1C
InChIInChI=1S/C24H22N4O2/c1-15-13-26-22(16(2)23(15)30-3)14-27-24(29)19-12-21(17-8-10-25-11-9-17)28-20-7-5-4-6-18(19)20/h4-13H,14H2,1-3H3,(H,27,29)
InChIKeyJYWNHYYKJJPCGP-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.25
Rot. Bonds5

About N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide

N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (PubChem CID 49354549) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
PubChem CID49354549
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
SMILESCOc1c(C)cnc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1C
InChIInChI=1S/C24H22N4O2/c1-15-13-26-22(16(2)23(15)30-3)14-27-24(29)19-12-21(17-8-10-25-11-9-17)28-20-7-5-4-6-18(19)20/h4-13H,14H2,1-3H3,(H,27,29)
InChIKeyJYWNHYYKJJPCGP-UHFFFAOYSA-N
XLogP4.25
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide with MolForge

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Related Compounds

N-benzyl-2-pyridin-4-ylquinoline-4-carboxamide
CID 757748
2-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 2666564
N-[(4-hydroxyphenyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 46539313
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72868649
N-[(5-methylthiophen-2-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 55794770
N-[[4-[(dimethylamino)methyl]phenyl]methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 26132145
2-pyridin-3-yl-N-(pyridin-4-ylmethyl)quinoline-4-carboxamide
CID 24538422
methyl 2-(pyridin-4-ylmethyl)-3-[(2-pyridin-4-ylquinoline-4-carbonyl)amino]propanoate
CID 166201340
N-(furan-2-ylmethyl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 3241370
[4-[[(2-pyridin-4-ylquinoline-4-carbonyl)amino]methyl]cyclohexyl]methylcarbamic acid
CID 69025406
N-[(3-methyl-2-methylsulfanylimidazol-4-yl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide
CID 72866318
2-(4-methylphenyl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 1220288

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The IUPAC name of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide (CID 49354549) is N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide.
What is the SMILES notation for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The canonical SMILES for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is COc1c(C)cnc(CNC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1C.
What is the InChIKey of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
The InChIKey is JYWNHYYKJJPCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c1-15-13-26-22(16(2)23(15)30-3)14-27-24(29)19-12-21(17-8-10-25-11-9-17)28-20-7-5-4-6-18(19)20/h4-13H,14H2,1-3H3,(H,27,29).
What are the key properties of N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide?
N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-2-pyridin-4-ylquinoline-4-carboxamide is sourced from PubChem (CID 49354549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).