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

C19H20ClN5O — CID 134031812

IUPACN-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
SMILESN#Cc1cccnc1N1CCN(CC(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN5O/c20-17-5-1-3-15(11-17)13-23-18(26)14-24-7-9-25(10-8-24)19-16(12-21)4-2-6-22-19/h1-6,11H,7-10,13-14H2,(H,23,26)
InChIKeyPJPQZKGIUUROOM-UHFFFAOYSA-N
MW369.86 g/mol
LogP2.05
Rot. Bonds5

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

N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide (PubChem CID 134031812) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
PubChem CID134031812
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide
SMILESN#Cc1cccnc1N1CCN(CC(=O)NCc2cccc(Cl)c2)CC1
InChIInChI=1S/C19H20ClN5O/c20-17-5-1-3-15(11-17)13-23-18(26)14-24-7-9-25(10-8-24)19-16(12-21)4-2-6-22-19/h1-6,11H,7-10,13-14H2,(H,23,26)
InChIKeyPJPQZKGIUUROOM-UHFFFAOYSA-N
XLogP2.05
TPSA72.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-1-yl)acetamide
CID 8900692
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-(4-methylphenyl)acetamide
CID 10337040
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-cyclopropylethyl)acetamide
CID 134031972
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-nitrophenyl)acetamide
CID 10406576
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 10070201
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 68872911
N-[(3-chlorophenyl)methyl]-2-[4-(4-fluorophenyl)-1,4-diazepan-1-yl]acetamide
CID 87015682
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-(1-methylpyrazol-3-yl)acetamide
CID 91841684
2-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-N-(2-cyanophenyl)acetamide
CID 9258582
2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 68872500

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide (CID 134031812) is N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide is N#Cc1cccnc1N1CCN(CC(=O)NCc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
The InChIKey is PJPQZKGIUUROOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-17-5-1-3-15(11-17)13-23-18(26)14-24-7-9-25(10-8-24)19-16(12-21)4-2-6-22-19/h1-6,11H,7-10,13-14H2,(H,23,26).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide?
N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide has a molecular weight of 369.86 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[4-(3-cyano-2-pyridinyl)piperazin-1-yl]acetamide is sourced from PubChem (CID 134031812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).