N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide

C25H20N6O2 — CID 118212231

IUPACN-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cncc(Cc3ccc(Cc4ccc[nH]c4=O)nc3)c2)cn1
InChIInChI=1S/C25H20N6O2/c26-11-23-6-4-18(14-30-23)15-31-25(33)21-9-19(12-27-16-21)8-17-3-5-22(29-13-17)10-20-2-1-7-28-24(20)32/h1-7,9,12-14,16H,8,10,15H2,(H,28,32)(H,31,33)
InChIKeyFOKSRRIMJISDOM-UHFFFAOYSA-N
MW436.48 g/mol
LogP2.54
Rot. Bonds7

About N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide

N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 118212231) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID118212231
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC NameN-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide
SMILESN#Cc1ccc(CNC(=O)c2cncc(Cc3ccc(Cc4ccc[nH]c4=O)nc3)c2)cn1
InChIInChI=1S/C25H20N6O2/c26-11-23-6-4-18(14-30-23)15-31-25(33)21-9-19(12-27-16-21)8-17-3-5-22(29-13-17)10-20-2-1-7-28-24(20)32/h1-7,9,12-14,16H,8,10,15H2,(H,28,32)(H,31,33)
InChIKeyFOKSRRIMJISDOM-UHFFFAOYSA-N
XLogP2.54
TPSA124.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(6-chloronaphthalen-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212256
N-[(5-amino-3-methylpyrazin-2-yl)methyl]-5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212500
tert-butyl N-[5-[[[5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carbonyl]amino]methyl]-1,2-benzoxazol-3-yl]carbamate
CID 118213030
ethyl 5-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylate
CID 118212779
ethyl 5-[[2,5-difluoro-4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-3-carboxylate
CID 118212882
N-[(4-carbamimidoylphenyl)methyl]-3-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]benzamide
CID 118213166
N-[(8-aminoquinolin-3-yl)methyl]-2-[[4-[(2-oxo-1H-pyridin-3-yl)methyl]phenyl]methyl]pyridine-4-carboxamide
CID 118212715
6-cyano-N-[(4-ethylphenyl)methyl]pyridine-3-carboxamide
CID 67567287
N-[(6-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213060
N-[(3-chloro-1H-indol-6-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118213156
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]-5-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyridine-3-carboxamide
CID 118212944
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

Frequently Asked Questions

What is the IUPAC name of N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide (CID 118212231) is N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide is N#Cc1ccc(CNC(=O)c2cncc(Cc3ccc(Cc4ccc[nH]c4=O)nc3)c2)cn1.
What is the InChIKey of N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is FOKSRRIMJISDOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c26-11-23-6-4-18(14-30-23)15-31-25(33)21-9-19(12-27-16-21)8-17-3-5-22(29-13-17)10-20-2-1-7-28-24(20)32/h1-7,9,12-14,16H,8,10,15H2,(H,28,32)(H,31,33).
What are the key properties of N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide?
N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 2.54, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-cyano-3-pyridinyl)methyl]-5-[[6-[(2-oxo-1H-pyridin-3-yl)methyl]-3-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118212231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).