2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide

C19H20N4O4 — CID 109084818

IUPAC2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C19H20N4O4/c1-27-17-5-3-2-4-15(17)21-18(25)14-6-7-20-16(12-14)19(26)23-10-8-22(13-24)9-11-23/h2-7,12-13H,8-11H2,1H3,(H,21,25)
InChIKeyGUDPZFYGGOSLIK-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.26
Rot. Bonds5

About 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide

2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 109084818) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
PubChem CID109084818
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccccc1NC(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1
InChIInChI=1S/C19H20N4O4/c1-27-17-5-3-2-4-15(17)21-18(25)14-6-7-20-16(12-14)19(26)23-10-8-22(13-24)9-11-23/h2-7,12-13H,8-11H2,1H3,(H,21,25)
InChIKeyGUDPZFYGGOSLIK-UHFFFAOYSA-N
XLogP1.26
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-formylpiperazine-1-carbonyl)-N-(2-propan-2-ylphenyl)pyridine-4-carboxamide
CID 109084801
4-[(2-methoxyphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 115730044
2-(4-formylpiperazine-1-carbonyl)-N-propan-2-ylpyridine-4-carboxamide
CID 109078029
N-(4-chloro-2-methylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084815
2-(4-formylpiperazine-1-carbonyl)-N-(3-methylphenyl)pyridine-4-carboxamide
CID 109084786
N-(4-acetylphenyl)-2-(4-formylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084830
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
2-(azepane-1-carbonyl)-N-(2,4-dimethoxyphenyl)pyridine-4-carboxamide
CID 109090770
N-(2,4-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081309
N-(2,5-dimethoxyphenyl)-2-(piperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081308
2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109090766
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687

Frequently Asked Questions

What is the IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide (CID 109084818) is 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide is COc1ccccc1NC(=O)c1ccnc(C(=O)N2CCN(C=O)CC2)c1.
What is the InChIKey of 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is GUDPZFYGGOSLIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-27-17-5-3-2-4-15(17)21-18(25)14-6-7-20-16(12-14)19(26)23-10-8-22(13-24)9-11-23/h2-7,12-13H,8-11H2,1H3,(H,21,25).
What are the key properties of 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide?
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 109084818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).