N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide

C29H25N5O2 — CID 118212715

IUPACN-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
SMILESNc1cccc2cc(CNC(=O)c3ccnc(Cc4ccc(Cc5ccc[nH]c5=O)cc4)c3)cnc12
InChIInChI=1S/C29H25N5O2/c30-26-5-1-3-22-14-21(17-33-27(22)26)18-34-29(36)24-10-12-31-25(16-24)15-20-8-6-19(7-9-20)13-23-4-2-11-32-28(23)35/h1-12,14,16-17H,13,15,18,30H2,(H,32,35)(H,34,36)
InChIKeyWZQGIDPCERKTJX-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.01
Rot. Bonds7

About N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide

N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide (PubChem CID 118212715) has the molecular formula C29H25N5O2 and a molecular weight of 475.55 g/mol. Its IUPAC name is N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
PubChem CID118212715
Molecular FormulaC29H25N5O2
Molecular Weight475.55 g/mol
Exact Mass475.20
IUPAC NameN-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
SMILESNc1cccc2cc(CNC(=O)c3ccnc(Cc4ccc(Cc5ccc[nH]c5=O)cc4)c3)cnc12
InChIInChI=1S/C29H25N5O2/c30-26-5-1-3-22-14-21(17-33-27(22)26)18-34-29(36)24-10-12-31-25(16-24)15-20-8-6-19(7-9-20)13-23-4-2-11-32-28(23)35/h1-12,14,16-17H,13,15,18,30H2,(H,32,35)(H,34,36)
InChIKeyWZQGIDPCERKTJX-UHFFFAOYSA-N
XLogP4.01
TPSA113.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide with MolForge

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Related Compounds

N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[[3-methylsulfonyl-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
CID 118212586
N-[[6-amino-2-(trifluoromethyl)-3-pyridinyl]methyl]-2-[[3-methylsulfonyl-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
CID 118213181
N-[(6-amino-2-methyl-3-pyridinyl)methyl]-2-[[4-[(5-fluoro-2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
CID 118212349
N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212256
N-[(4-carbamimidoylphenyl)methyl]-3-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]benzamide
CID 118213166
N-[(5-amino-3-methylpyrazin-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212500
N-[(1-aminoisoquinolin-6-yl)methyl]-2-[(3-methylisoquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213018
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324147
N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide
CID 118212231
N-[(8-sulfanylquinolin-3-yl)methyl]benzamide
CID 159965850
2-(aminomethyl)-N-[(6-methoxy-3-pyridinyl)methyl]pyridine-4-carboxamide
CID 114326282
N-[(6-amino-4-methyl-3-pyridinyl)methyl]-2-[(3-fluoroquinolin-6-yl)methyl]pyridine-4-carboxamide
CID 118213222

Frequently Asked Questions

What is the IUPAC name of N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide (CID 118212715) is N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide is Nc1cccc2cc(CNC(=O)c3ccnc(Cc4ccc(Cc5ccc[nH]c5=O)cc4)c3)cnc12.
What is the InChIKey of N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is WZQGIDPCERKTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O2/c30-26-5-1-3-22-14-21(17-33-27(22)26)18-34-29(36)24-10-12-31-25(16-24)15-20-8-6-19(7-9-20)13-23-4-2-11-32-28(23)35/h1-12,14,16-17H,13,15,18,30H2,(H,32,35)(H,34,36).
What are the key properties of N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide?
N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 475.55 g/mol, XLogP of 4.01, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 118212715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).