N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide

C22H29N5O — CID 109353048

IUPACN,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ncn1
InChIInChI=1S/C22H29N5O/c1-3-26(4-2)22(28)20-17-21(24-18-23-20)27-15-13-25(14-16-27)12-8-11-19-9-6-5-7-10-19/h5-11,17-18H,3-4,12-16H2,1-2H3/b11-8+
InChIKeyIHGUPFSLUXCXQL-DHZHZOJOSA-N
MW379.51 g/mol
LogP2.79
Rot. Bonds7

About N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide

N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide (PubChem CID 109353048) has the molecular formula C22H29N5O and a molecular weight of 379.51 g/mol. Its IUPAC name is N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
PubChem CID109353048
Molecular FormulaC22H29N5O
Molecular Weight379.51 g/mol
Exact Mass379.24
IUPAC NameN,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide
SMILESCCN(CC)C(=O)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ncn1
InChIInChI=1S/C22H29N5O/c1-3-26(4-2)22(28)20-17-21(24-18-23-20)27-15-13-25(14-16-27)12-8-11-19-9-6-5-7-10-19/h5-11,17-18H,3-4,12-16H2,1-2H3/b11-8+
InChIKeyIHGUPFSLUXCXQL-DHZHZOJOSA-N
XLogP2.79
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342197
N-(1-phenylethyl)-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112859315
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-N-propylpyridazine-3-carboxamide
CID 109109268
N-[(4-methylphenyl)methyl]-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidin-4-amine
CID 112859187
6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine-2-carboxamide
CID 56702748
[2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-4-pyridinyl]-piperidin-1-ylmethanone
CID 109166166
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N,N-diethylpyrimidine-4-carboxamide
CID 109352486
N-benzyl-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-ethylpyrimidine-4-carboxamide
CID 109349485
oxalic acid;1-phenyl-4-(3-phenylprop-2-enyl)piperazine
CID 171151210
N-[2-(dimethylamino)ethyl]-4-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyridine-2-carboxamide
CID 109207136
[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]-[6-(propan-2-ylamino)pyrimidin-4-yl]methanone
CID 109338701
2-chloro-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrazine
CID 51308937

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide?
The IUPAC name of N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide (CID 109353048) is N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide.
What is the SMILES notation for N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide?
The canonical SMILES for N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide is CCN(CC)C(=O)c1cc(N2CCN(C/C=C/c3ccccc3)CC2)ncn1.
What is the InChIKey of N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide?
The InChIKey is IHGUPFSLUXCXQL-DHZHZOJOSA-N. The full InChI is InChI=1S/C22H29N5O/c1-3-26(4-2)22(28)20-17-21(24-18-23-20)27-15-13-25(14-16-27)12-8-11-19-9-6-5-7-10-19/h5-11,17-18H,3-4,12-16H2,1-2H3/b11-8+.
What are the key properties of N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide?
N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 2.79, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109353048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).