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

C20H21N5O — CID 169393758

IUPAC2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC1CCCN(Cc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)C1
InChIInChI=1S/C20H21N5O/c1-13-5-4-8-25(11-13)12-14-6-2-3-7-15(14)18-16(9-21)19(23)24-20(26)17(18)10-22/h2-3,6-7,13H,4-5,8,11-12H2,1H3,(H3,23,24,26)
InChIKeyILVUKAYCKMJOSO-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.60
Rot. Bonds3

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

2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (PubChem CID 169393758) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
PubChem CID169393758
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
SMILESCC1CCCN(Cc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)C1
InChIInChI=1S/C20H21N5O/c1-13-5-4-8-25(11-13)12-14-6-2-3-7-15(14)18-16(9-21)19(23)24-20(26)17(18)10-22/h2-3,6-7,13H,4-5,8,11-12H2,1H3,(H3,23,24,26)
InChIKeyILVUKAYCKMJOSO-UHFFFAOYSA-N
XLogP2.60
TPSA109.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-4-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394577
2-amino-4-[2-[2-(4-methylpiperidin-1-yl)-2-oxoethoxy]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394230
2-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-1H-benzimidazole
CID 168553890
6-methyl-4-[2-[3-(3-methylpiperidin-1-yl)propoxy]phenyl]-2-oxo-1H-pyridine-3-carbonitrile
CID 168586706
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 55069877
N-[[2-[(3-methylpiperidin-1-yl)methyl]phenyl]methyl]ethanamine
CID 62438160
[2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]phenyl]methanamine
CID 16774933
2-amino-4-[3-methoxy-2-(2-morpholin-4-ylethoxy)phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile
CID 169394695
2-[(3-methylpiperidin-1-yl)methyl]-6-nitroaniline
CID 107350692
2-[4-[(3-methylpiperidin-1-yl)methyl]phenyl]acetonitrile
CID 82135670

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The IUPAC name of 2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile (CID 169393758) is 2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is CC1CCCN(Cc2ccccc2-c2c(C#N)c(N)[nH]c(=O)c2C#N)C1.
What is the InChIKey of 2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
The InChIKey is ILVUKAYCKMJOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-5-4-8-25(11-13)12-14-6-2-3-7-15(14)18-16(9-21)19(23)24-20(26)17(18)10-22/h2-3,6-7,13H,4-5,8,11-12H2,1H3,(H3,23,24,26).
What are the key properties of 2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile?
2-amino-4-[2-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile has a molecular weight of 347.42 g/mol, XLogP of 2.60, 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-[(3-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-1H-pyridine-3,5-dicarbonitrile is sourced from PubChem (CID 169393758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).