2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

C17H20N6O2 — CID 109326296

IUPAC2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccn2)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C17H20N6O2/c1-13-10-15(16(25)19-11-14-4-2-3-5-18-14)21-17(20-13)23-8-6-22(12-24)7-9-23/h2-5,10,12H,6-9,11H2,1H3,(H,19,25)
InChIKeyNGMWFPOMYXFJSW-UHFFFAOYSA-N
MW340.39 g/mol
LogP0.39
Rot. Bonds5

About 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide

2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (PubChem CID 109326296) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
PubChem CID109326296
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC Name2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NCc2ccccn2)nc(N2CCN(C=O)CC2)n1
InChIInChI=1S/C17H20N6O2/c1-13-10-15(16(25)19-11-14-4-2-3-5-18-14)21-17(20-13)23-8-6-22(12-24)7-9-23/h2-5,10,12H,6-9,11H2,1H3,(H,19,25)
InChIKeyNGMWFPOMYXFJSW-UHFFFAOYSA-N
XLogP0.39
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-morpholin-4-yl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 56731265
2-(4-formylpiperazin-1-yl)-6-methyl-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109326285
N-benzyl-6-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327241
N-benzyl-6-methyl-2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327240
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326312
6-(4-formylpiperazin-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109116789
N-[3-(dimethylamino)propyl]-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109325558
6-(4-formylpiperazine-1-carbonyl)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109096906
N-benzyl-6-methyl-2-(4-phenylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109327232
N-(3-acetylphenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326383
N-(3-fluorophenyl)-2-(4-formylpiperazin-1-yl)-6-methylpyrimidine-4-carboxamide
CID 109326393
4-[4-(3-methylphenyl)piperazin-1-yl]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212690

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide (CID 109326296) is 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is Cc1cc(C(=O)NCc2ccccn2)nc(N2CCN(C=O)CC2)n1.
What is the InChIKey of 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
The InChIKey is NGMWFPOMYXFJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-13-10-15(16(25)19-11-14-4-2-3-5-18-14)21-17(20-13)23-8-6-22(12-24)7-9-23/h2-5,10,12H,6-9,11H2,1H3,(H,19,25).
What are the key properties of 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide?
2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 0.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazin-1-yl)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109326296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).