N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride

C23H34ClN5O2 — CID 52949205

IUPACN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride
SMILESCOc1c(C)nc(C)nc1C(=O)NCCCN1CCN(c2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C23H33N5O2.ClH/c1-16-8-6-9-20(17(16)2)28-14-12-27(13-15-28)11-7-10-24-23(29)21-22(30-5)18(3)25-19(4)26-21;/h6,8-9H,7,10-15H2,1-5H3,(H,24,29);1H
InChIKeyUETCBWKKMOBPNY-UHFFFAOYSA-N
MW448.01 g/mol
LogP3.08
Rot. Bonds7

About N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride (PubChem CID 52949205) has the molecular formula C23H34ClN5O2 and a molecular weight of 448.01 g/mol. Its IUPAC name is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride
PubChem CID52949205
Molecular FormulaC23H34ClN5O2
Molecular Weight448.01 g/mol
Exact Mass447.24
IUPAC NameN-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride
SMILESCOc1c(C)nc(C)nc1C(=O)NCCCN1CCN(c2cccc(C)c2C)CC1.Cl
InChIInChI=1S/C23H33N5O2.ClH/c1-16-8-6-9-20(17(16)2)28-14-12-27(13-15-28)11-7-10-24-23(29)21-22(30-5)18(3)25-19(4)26-21;/h6,8-9H,7,10-15H2,1-5H3,(H,24,29);1H
InChIKeyUETCBWKKMOBPNY-UHFFFAOYSA-N
XLogP3.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.01
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(2-fluorophenyl)-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67495492
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethyl-1-phenylimidazole-4-carboxamide;dihydrochloride
CID 54576800
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-(2-fluorophenyl)-5-methyl-2-propylimidazole-4-carboxamide
CID 66899060
1-(3-chlorophenyl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-2,5-dimethylimidazole-4-carboxamide;dihydrochloride
CID 54578320
N-[4-[4-(2,3-dimethylphenyl)piperazin-1-yl]butyl]anthracene-2-carboxamide;hydrochloride
CID 21202821
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methyl-1-(4-methylphenyl)-2-phenylimidazole-4-carboxamide
CID 67495094
4-bromo-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-1-methoxynaphthalene-2-carboxamide
CID 15232475
N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]propyl]-1-(4-methoxyphenyl)-2,5-dimethylimidazole-4-carboxamide;trihydrochloride
CID 90664701
N-[3-[4-(2-methylphenyl)piperazin-1-yl]propyl]pyridine-4-carboxamide
CID 127042302
4-(2,3-dimethylphenyl)-N-(3-methoxypropyl)piperazine-1-carboxamide
CID 108988126
1-(1,3-benzodioxol-5-yl)-N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methyl-2-phenylimidazole-4-carboxamide;dihydrochloride
CID 67496046
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-1-phenyl-2-propylimidazole-4-carboxamide
CID 54577015

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride (CID 52949205) is N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride is COc1c(C)nc(C)nc1C(=O)NCCCN1CCN(c2cccc(C)c2C)CC1.Cl.
What is the InChIKey of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride?
The InChIKey is UETCBWKKMOBPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H33N5O2.ClH/c1-16-8-6-9-20(17(16)2)28-14-12-27(13-15-28)11-7-10-24-23(29)21-22(30-5)18(3)25-19(4)26-21;/h6,8-9H,7,10-15H2,1-5H3,(H,24,29);1H.
What are the key properties of N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride?
N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride has a molecular weight of 448.01 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(2,3-dimethylphenyl)piperazin-1-yl]propyl]-5-methoxy-2,6-dimethylpyrimidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 52949205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).