3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide

C15H21N7O — CID 118761818

IUPAC3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21N7O/c1-20-12-16-11-13(20)14(23)17-5-6-21-7-9-22(10-8-21)15-18-3-2-4-19-15/h2-4,11-12H,5-10H2,1H3,(H,17,23)
InChIKeyXFJWRSBGJCSKJJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP-0.24
Rot. Bonds5

About 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide

3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide (PubChem CID 118761818) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
PubChem CID118761818
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide
SMILESCn1cncc1C(=O)NCCN1CCN(c2ncccn2)CC1
InChIInChI=1S/C15H21N7O/c1-20-12-16-11-13(20)14(23)17-5-6-21-7-9-22(10-8-21)15-18-3-2-4-19-15/h2-4,11-12H,5-10H2,1H3,(H,17,23)
InChIKeyXFJWRSBGJCSKJJ-UHFFFAOYSA-N
XLogP-0.24
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 70710374
2-amino-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide;trihydrochloride
CID 119947504
(2S)-2-amino-4-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pentanamide
CID 119902328
4-(4-methylpyrazol-1-yl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 55930394
1-tert-butyl-5-propan-2-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrazole-3-carboxamide
CID 55930523
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1-benzothiophene-2-carboxamide
CID 55933192
2-(methylamino)-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]acetamide;hydrochloride
CID 120703590
4-acetyl-3-ethyl-5-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 55931420
4-tert-butyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]benzamide
CID 39539439
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 91795590
N-[3-oxo-3-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethylamino]propyl]thiophene-2-carboxamide
CID 55933196
methyl 3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propylcarbamoyl]benzoate
CID 55824435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide?
The IUPAC name of 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide (CID 118761818) is 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide?
The canonical SMILES for 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide is Cn1cncc1C(=O)NCCN1CCN(c2ncccn2)CC1.
What is the InChIKey of 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide?
The InChIKey is XFJWRSBGJCSKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-20-12-16-11-13(20)14(23)17-5-6-21-7-9-22(10-8-21)15-18-3-2-4-19-15/h2-4,11-12H,5-10H2,1H3,(H,17,23).
What are the key properties of 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide?
3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide has a molecular weight of 315.38 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]imidazole-4-carboxamide is sourced from PubChem (CID 118761818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).