2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

C17H18N4 — CID 151808878

IUPAC2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1nccc(N2CCN(c3ccccc3)CC2)c1C#N
InChIInChI=1S/C17H18N4/c1-14-16(13-18)17(7-8-19-14)21-11-9-20(10-12-21)15-5-3-2-4-6-15/h2-8H,9-12H2,1H3
InChIKeySAELICLEDCOXDS-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.59
Rot. Bonds2

About 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile

2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (PubChem CID 151808878) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
PubChem CID151808878
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
SMILESCc1nccc(N2CCN(c3ccccc3)CC2)c1C#N
InChIInChI=1S/C17H18N4/c1-14-16(13-18)17(7-8-19-14)21-11-9-20(10-12-21)15-5-3-2-4-6-15/h2-8H,9-12H2,1H3
InChIKeySAELICLEDCOXDS-UHFFFAOYSA-N
XLogP2.59
TPSA43.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-6-(4-phenylpiperazin-1-yl)benzonitrile
CID 60673959
2-bromo-6-(4-phenylpiperazin-1-yl)benzonitrile
CID 114880480
4-methoxy-2-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile
CID 1470924
1,3-dimethyl-2,4-dioxo-6-(4-phenylpiperazin-1-yl)pyrimidine-5-carbonitrile
CID 17449906
2-phenylsulfanyl-4-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 25058119
N-(3-cyano-4-pyrrolidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 170856619
2-chloro-6-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile;N,N-dimethylaniline
CID 159561649
3-(aziridin-1-yl)-2-methylpyridine
CID 54398386
4-[4-(2-chloro-3-cyano-4-pyridinyl)-1,4-diazepan-1-yl]-N,N-dimethylbenzamide
CID 154673176
4-(2,4-dichlorophenyl)-2-methyl-6-(4-phenylpiperazin-1-yl)benzonitrile
CID 10884336
2-methyl-4-pyrazolo[3,4-b]pyrazin-1-ylpyridine-3-carbonitrile
CID 155387066
4-methyl-6-oxo-1-phenylpyrimidine-5-carbonitrile
CID 13306025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The IUPAC name of 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile (CID 151808878) is 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile.
What is the SMILES notation for 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The canonical SMILES for 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is Cc1nccc(N2CCN(c3ccccc3)CC2)c1C#N.
What is the InChIKey of 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
The InChIKey is SAELICLEDCOXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-14-16(13-18)17(7-8-19-14)21-11-9-20(10-12-21)15-5-3-2-4-6-15/h2-8H,9-12H2,1H3.
What are the key properties of 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile?
2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-phenylpiperazin-1-yl)pyridine-3-carbonitrile is sourced from PubChem (CID 151808878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).