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

C17H18ClN5O3 — CID 109254548

IUPACN-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(N2CCN(C=O)CC2)nc1
InChIInChI=1S/C17H18ClN5O3/c1-26-15-3-2-13(18)8-14(15)21-16(25)12-9-19-17(20-10-12)23-6-4-22(11-24)5-7-23/h2-3,8-11H,4-7H2,1H3,(H,21,25)
InChIKeyQSAMWNMAHNJZMZ-UHFFFAOYSA-N
MW375.82 g/mol
LogP1.67
Rot. Bonds5

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

N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide (PubChem CID 109254548) has the molecular formula C17H18ClN5O3 and a molecular weight of 375.82 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
PubChem CID109254548
Molecular FormulaC17H18ClN5O3
Molecular Weight375.82 g/mol
Exact Mass375.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1cnc(N2CCN(C=O)CC2)nc1
InChIInChI=1S/C17H18ClN5O3/c1-26-15-3-2-13(18)8-14(15)21-16(25)12-9-19-17(20-10-12)23-6-4-22(11-24)5-7-23/h2-3,8-11H,4-7H2,1H3,(H,21,25)
InChIKeyQSAMWNMAHNJZMZ-UHFFFAOYSA-N
XLogP1.67
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.82
LogP ≤ 51.67
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
N-(2,5-dimethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250215
5,6-dichloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-carboxamide
CID 4856255
N-(5-chloro-2-methoxyphenyl)-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-5-carboxamide
CID 109269354
N-(5-chloro-2-methoxyphenyl)-3-(4-formylpiperazin-1-yl)-3-oxopropanamide
CID 108944777
5-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrazine-2-carboxamide
CID 109278979
N-(5-chloro-2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152557
1-(5-chloro-2-methoxyphenyl)-3-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 71790148
4-[6-(5-chloro-2-methoxyanilino)pyrimidin-4-yl]piperazine-1-carbaldehyde
CID 112858305
6-(4-formylpiperazin-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidine-4-carboxamide
CID 109345656
N-(5-chloro-2-methoxyphenyl)-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 109163811
N-(5-chloro-2-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 51168044

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide (CID 109254548) is N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1cnc(N2CCN(C=O)CC2)nc1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
The InChIKey is QSAMWNMAHNJZMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O3/c1-26-15-3-2-13(18)8-14(15)21-16(25)12-9-19-17(20-10-12)23-6-4-22(11-24)5-7-23/h2-3,8-11H,4-7H2,1H3,(H,21,25).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide has a molecular weight of 375.82 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109254548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).