N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

C18H19ClN4O2 — CID 109154932

IUPACN-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(C=O)CC3)nc2)cc1Cl
InChIInChI=1S/C18H19ClN4O2/c1-13-2-4-15(10-16(13)19)21-18(25)14-3-5-17(20-11-14)23-8-6-22(12-24)7-9-23/h2-5,10-12H,6-9H2,1H3,(H,21,25)
InChIKeyOQTSUVFIVIDESB-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.57
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide

N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109154932) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109154932
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC NameN-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(N3CCN(C=O)CC3)nc2)cc1Cl
InChIInChI=1S/C18H19ClN4O2/c1-13-2-4-15(10-16(13)19)21-18(25)14-3-5-17(20-11-14)23-8-6-22(12-24)7-9-23/h2-5,10-12H,6-9H2,1H3,(H,21,25)
InChIKeyOQTSUVFIVIDESB-UHFFFAOYSA-N
XLogP2.57
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridazine-3-carboxamide
CID 109116865
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345645
N-(3-chloro-4-methylphenyl)-4-(4-formylpiperazine-1-carbonyl)benzamide
CID 109046404
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(2,3-dichlorophenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154974
N-(3-chloro-4-methylphenyl)-6-(2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 109162396
6-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methoxyphenyl)pyridine-3-carboxamide
CID 109155138
6-bromo-N-(3-chloro-4-methylphenyl)pyridine-3-carboxamide
CID 66462281
N-(3,4-dimethylphenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345622
6-(4-formylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 82116544
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109254821
4-[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91059200

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide (CID 109154932) is N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(N3CCN(C=O)CC3)nc2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is OQTSUVFIVIDESB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-13-2-4-15(10-16(13)19)21-18(25)14-3-5-17(20-11-14)23-8-6-22(12-24)7-9-23/h2-5,10-12H,6-9H2,1H3,(H,21,25).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109154932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).