N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide

C18H21N5O3 — CID 109254553

IUPACN-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(N2CCN(C=O)CC2)nc1
InChIInChI=1S/C18H21N5O3/c1-2-26-16-6-4-3-5-15(16)21-17(25)14-11-19-18(20-12-14)23-9-7-22(13-24)8-10-23/h3-6,11-13H,2,7-10H2,1H3,(H,21,25)
InChIKeyRVKAVXMEXZPOCR-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.41
Rot. Bonds6

About N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide

N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109254553) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109254553
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC NameN-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCCOc1ccccc1NC(=O)c1cnc(N2CCN(C=O)CC2)nc1
InChIInChI=1S/C18H21N5O3/c1-2-26-16-6-4-3-5-15(16)21-17(25)14-11-19-18(20-12-14)23-9-7-22(13-24)8-10-23/h3-6,11-13H,2,7-10H2,1H3,(H,21,25)
InChIKeyRVKAVXMEXZPOCR-UHFFFAOYSA-N
XLogP1.41
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.41
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

2-(4-formylpiperazin-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109254513
2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide
CID 16677947
N-(2-ethoxyphenyl)-4-formylpiperazine-1-carboxamide
CID 108988617
N-(4-ethylphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254526
N-(2-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154747
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109254832
2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252305
N-(2-ethoxyphenyl)-4-(4-formylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109147660
ethyl 2-[(2-piperidin-1-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109250266
N-(2-ethoxyphenyl)-4-formylbenzamide
CID 134025431
N-(2-ethoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 46631059

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109254553) is N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide is CCOc1ccccc1NC(=O)c1cnc(N2CCN(C=O)CC2)nc1.
What is the InChIKey of N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is RVKAVXMEXZPOCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-2-26-16-6-4-3-5-15(16)21-17(25)14-11-19-18(20-12-14)23-9-7-22(13-24)8-10-23/h3-6,11-13H,2,7-10H2,1H3,(H,21,25).
What are the key properties of N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).