3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide

C14H19N5O — CID 153358176

IUPAC3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H19N5O/c1-16-14(20)4-5-18-6-8-19(9-7-18)13-3-2-12(10-15)11-17-13/h2-3,11H,4-9H2,1H3,(H,16,20)
InChIKeyWPJBDSZYSBRHEB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.21
Rot. Bonds4

About 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide

3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide (PubChem CID 153358176) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
PubChem CID153358176
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide
SMILESCNC(=O)CCN1CCN(c2ccc(C#N)cn2)CC1
InChIInChI=1S/C14H19N5O/c1-16-14(20)4-5-18-6-8-19(9-7-18)13-3-2-12(10-15)11-17-13/h2-3,11H,4-9H2,1H3,(H,16,20)
InChIKeyWPJBDSZYSBRHEB-UHFFFAOYSA-N
XLogP0.21
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[4-[3-(4-cyanoanilino)-3-oxopropyl]piperazin-1-yl]pyridine-3-carboxylate
CID 33378820
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,6-dimethylphenyl)acetamide
CID 35919031
1-(5-cyano-2-pyridinyl)-N-methylpiperidine-4-carboxamide
CID 47135971
6-[4-[2-(2,5-dioxopyrrolidin-1-yl)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 47068773
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-ethoxyphenyl)acetamide
CID 133272011
6-[4-(3-hydroxypropanoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 153358087
6-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 35919863
2-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 35919099
6-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 18133063
methyl 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]butanoate
CID 71982269
3-(4-cyanophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 26126723
6-[4-(4-methylbenzoyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 60505849

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide?
The IUPAC name of 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide (CID 153358176) is 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide?
The canonical SMILES for 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide is CNC(=O)CCN1CCN(c2ccc(C#N)cn2)CC1.
What is the InChIKey of 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide?
The InChIKey is WPJBDSZYSBRHEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-16-14(20)4-5-18-6-8-19(9-7-18)13-3-2-12(10-15)11-17-13/h2-3,11H,4-9H2,1H3,(H,16,20).
What are the key properties of 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide?
3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide has a molecular weight of 273.34 g/mol, XLogP of 0.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-cyano-2-pyridinyl)piperazin-1-yl]-N-methylpropanamide is sourced from PubChem (CID 153358176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).