N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide

C18H23N5O2 — CID 10640987

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1
InChIInChI=1S/C18H23N5O2/c1-25-17-5-3-2-4-16(17)23-12-10-22(11-13-23)9-8-20-18(24)15-6-7-19-14-21-15/h2-7,14H,8-13H2,1H3,(H,20,24)
InChIKeyJUASUUUSTHHWOL-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.04
Rot. Bonds6

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide (PubChem CID 10640987) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide
PubChem CID10640987
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1
InChIInChI=1S/C18H23N5O2/c1-25-17-5-3-2-4-16(17)23-12-10-22(11-13-23)9-8-20-18(24)15-6-7-19-14-21-15/h2-7,14H,8-13H2,1H3,(H,20,24)
InChIKeyJUASUUUSTHHWOL-UHFFFAOYSA-N
XLogP1.04
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

p-(18F)MPPF
CID 5352127
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-(2-pyridinylmethyl)-
CID 44520951
4-Pyrimidinecarboxamide,2-amino-6-(3-methoxyphenyl)-n-[(3-methyl-2-pyridinyl)methyl]-
CID 44520964
2-(3-(4-(2-Methoxyphenyl)piperazin-1-yl)propylamino)-N,N-dimethylnicotinamide
CID 9865577
2-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide
CID 10499343
5-cyano-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10574245
2-[3-[4-[2-(2,2-dimethylpropoxy)phenyl]piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10647341
2-[3-[4-(2-ethoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide
CID 10787790
2-[(2R)-4-(2-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005987
2-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 25005989
Pyrimidine-4-carboxamide, 73
CID 44520950

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide (CID 10640987) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide is COc1ccccc1N1CCN(CCNC(=O)c2ccncn2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide?
The InChIKey is JUASUUUSTHHWOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-25-17-5-3-2-4-16(17)23-12-10-22(11-13-23)9-8-20-18(24)15-6-7-19-14-21-15/h2-7,14H,8-13H2,1H3,(H,20,24).
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 10640987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).