2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

C22H25N5O — CID 169394577

IUPAC2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1cc(CN2CCC(C)CC2)c(C)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C22H25N5O/c1-13-4-6-27(7-5-13)12-16-8-14(2)9-17(15(16)3)20-18(10-23)21(25)26-22(28)19(20)11-24/h8-9,13H,4-7,12H2,1-3H3,(H3,25,26,28)
InChIKeyIZVPHMODYUOWTN-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.22
Rot. Bonds3

About 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile

2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169394577) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169394577
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCc1cc(CN2CCC(C)CC2)c(C)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1
InChIInChI=1S/C22H25N5O/c1-13-4-6-27(7-5-13)12-16-8-14(2)9-17(15(16)3)20-18(10-23)21(25)26-22(28)19(20)11-24/h8-9,13H,4-7,12H2,1-3H3,(H3,25,26,28)
InChIKeyIZVPHMODYUOWTN-UHFFFAOYSA-N
XLogP3.22
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile with MolForge

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Related Compounds

2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393758
4-[2,4-dimethyl-5-[(4-methylpiperidin-1-yl)methyl]phenyl]-2-methylsulfanyl-6-oxo-1H-pyrimidine-5-carbonitrile
CID 168589823
2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394230
2-amino-4-(2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393002
2-amino-4-(4-chloro-2-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393282
1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169385846
(2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine
CID 99946878
[4-(2-amino-3,5-dicyano-6-oxo-1H-pyridin-4-yl)-3-ethylphenyl]boronic acid
CID 169394273
2-amino-4-(4-chloro-2-hydroxy-3-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395296
2-amino-4-(2-bromo-4-fluoro-5-methylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394274
2-amino-4-(2-methyl-5-nitrophenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169393298
2-amino-4-(5-bromo-2-piperidin-1-ylphenyl)-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169395686

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169394577) is 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is Cc1cc(CN2CCC(C)CC2)c(C)c(-c2c(C#N)c(N)[nH]c(=O)c2C#N)c1.
What is the InChIKey of 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is IZVPHMODYUOWTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-13-4-6-27(7-5-13)12-16-8-14(2)9-17(15(16)3)20-18(10-23)21(25)26-22(28)19(20)11-24/h8-9,13H,4-7,12H2,1-3H3,(H3,25,26,28).
What are the key properties of 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 375.48 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169394577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).