2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide

C17H23N5O — CID 134031972

IUPAC2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(c2ncccc2C#N)CC1)C1CC1
InChIInChI=1S/C17H23N5O/c1-13(14-4-5-14)20-16(23)12-21-7-9-22(10-8-21)17-15(11-18)3-2-6-19-17/h2-3,6,13-14H,4-5,7-10,12H2,1H3,(H,20,23)
InChIKeySQXWNFMYCGDTKC-UHFFFAOYSA-N
MW313.40 g/mol
LogP0.99
Rot. Bonds5

About 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide

2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide (PubChem CID 134031972) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide.

Molecular Properties

Compound Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide
PubChem CID134031972
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide
SMILESCC(NC(=O)CN1CCN(c2ncccc2C#N)CC1)C1CC1
InChIInChI=1S/C17H23N5O/c1-13(14-4-5-14)20-16(23)12-21-7-9-22(10-8-21)17-15(11-18)3-2-6-19-17/h2-3,6,13-14H,4-5,7-10,12H2,1H3,(H,20,23)
InChIKeySQXWNFMYCGDTKC-UHFFFAOYSA-N
XLogP0.99
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-cyanophenyl)-1,4-diazepan-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 51080693
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(4-methylphenyl)acetamide
CID 10337040
2-[4-(3-cyano-2-pyridinyl)-1,4-diazepan-1-yl]-N-(cyclohexylmethyl)acetamide
CID 47541975
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91841684
N-(3-tert-butylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 68875408
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 68872911
N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 134031812
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 68874368
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 68872500
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-nitrophenyl)acetamide
CID 10406576
N-(3-benzylphenyl)-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
CID 68872698
N-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-2-[3-(dimethylamino)pyrrolidin-1-yl]acetamide
CID 91796252

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide?
The IUPAC name of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide (CID 134031972) is 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide.
What is the SMILES notation for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide?
The canonical SMILES for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide is CC(NC(=O)CN1CCN(c2ncccc2C#N)CC1)C1CC1.
What is the InChIKey of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide?
The InChIKey is SQXWNFMYCGDTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13(14-4-5-14)20-16(23)12-21-7-9-22(10-8-21)17-15(11-18)3-2-6-19-17/h2-3,6,13-14H,4-5,7-10,12H2,1H3,(H,20,23).
What are the key properties of 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide?
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide has a molecular weight of 313.40 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide is sourced from PubChem (CID 134031972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).