2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide

C20H22N6O2 — CID 42847771

IUPAC2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(N2CCN(c3ccccc3C#N)CC2)nc1OC
InChIInChI=1S/C20H22N6O2/c1-3-8-22-18(27)16-14-23-20(24-19(16)28-2)26-11-9-25(10-12-26)17-7-5-4-6-15(17)13-21/h3-7,14H,1,8-12H2,2H3,(H,22,27)
InChIKeyIEAVAFIQHTUUBE-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.60
Rot. Bonds6

About 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide

2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide (PubChem CID 42847771) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
PubChem CID42847771
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
SMILESC=CCNC(=O)c1cnc(N2CCN(c3ccccc3C#N)CC2)nc1OC
InChIInChI=1S/C20H22N6O2/c1-3-8-22-18(27)16-14-23-20(24-19(16)28-2)26-11-9-25(10-12-26)17-7-5-4-6-15(17)13-21/h3-7,14H,1,8-12H2,2H3,(H,22,27)
InChIKeyIEAVAFIQHTUUBE-UHFFFAOYSA-N
XLogP1.60
TPSA94.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[4-(2,6-dimethylphenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide
CID 46037141
2-[4-(2-fluorophenyl)piperazin-1-yl]-4-methoxy-N-(2-methoxyethyl)pyrimidine-5-carboxamide
CID 42847722
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-pyridin-2-ylethyl)pyrimidine-5-carboxamide
CID 42847732
2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
CID 42847745
4-methoxy-2-[4-(2-methylphenyl)piperazin-1-yl]-N-(2-morpholin-4-ylethyl)pyrimidine-5-carboxamide
CID 42847731
N-[(2R)-butan-2-yl]-4-methoxy-2-[4-(2-nitrophenyl)piperazin-1-yl]pyrimidine-5-carboxamide
CID 93323873
2-[4-(5-chloro-2-methoxyphenyl)piperazin-1-yl]-4-methoxy-N-propylpyrimidine-5-carboxamide
CID 46037159
4-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-N-prop-2-enylbenzamide
CID 109043513
2-[4-(4-methoxypyrimidin-2-yl)-1,4-diazepan-1-yl]benzonitrile
CID 56815321
2-[[[4-(5-bromo-4-methoxypyrimidin-2-yl)piperazin-1-yl]-(prop-2-enylamino)methylidene]amino]-N,N-dimethylacetamide;hydroiodide
CID 110043194
2-[4-[(2,6-dichlorophenyl)methyl]piperazin-1-yl]-N-(furan-2-ylmethyl)-4-methoxypyrimidine-5-carboxamide
CID 42847808
2-methoxy-N-prop-2-enylbenzamide
CID 4063222

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide?
The IUPAC name of 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide (CID 42847771) is 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide?
The canonical SMILES for 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide is C=CCNC(=O)c1cnc(N2CCN(c3ccccc3C#N)CC2)nc1OC.
What is the InChIKey of 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide?
The InChIKey is IEAVAFIQHTUUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-3-8-22-18(27)16-14-23-20(24-19(16)28-2)26-11-9-25(10-12-26)17-7-5-4-6-15(17)13-21/h3-7,14H,1,8-12H2,2H3,(H,22,27).
What are the key properties of 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide?
2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-cyanophenyl)piperazin-1-yl]-4-methoxy-N-prop-2-enylpyrimidine-5-carboxamide is sourced from PubChem (CID 42847771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).