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

C19H20N4O4 — CID 109084711

IUPAC4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccn2)cc1
InChIInChI=1S/C19H20N4O4/c1-27-16-4-2-15(3-5-16)21-18(25)17-12-14(6-7-20-17)19(26)23-10-8-22(13-24)9-11-23/h2-7,12-13H,8-11H2,1H3,(H,21,25)
InChIKeyMPKGYLXPSJDFNC-UHFFFAOYSA-N
MW368.39 g/mol
LogP1.26
Rot. Bonds5

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

4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 109084711) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID109084711
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccn2)cc1
InChIInChI=1S/C19H20N4O4/c1-27-16-4-2-15(3-5-16)21-18(25)17-12-14(6-7-20-17)19(26)23-10-8-22(13-24)9-11-23/h2-7,12-13H,8-11H2,1H3,(H,21,25)
InChIKeyMPKGYLXPSJDFNC-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

N-[4-(dimethylamino)phenyl]-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084727
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
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084493
2-(4-ethylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 109084601
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687
methyl 4-[[4-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109090698
4-(4-formylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-2-carboxamide
CID 109208961
N-(4-methoxyphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081898
N-cyclopropyl-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109078616
2-(4-formylpiperazine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109084818
4-N-(4-chlorophenyl)-2-N-(4-methoxyphenyl)pyridine-2,4-dicarboxamide
CID 109092859

Frequently Asked Questions

What is the IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide (CID 109084711) is 4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(NC(=O)c2cc(C(=O)N3CCN(C=O)CC3)ccn2)cc1.
What is the InChIKey of 4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is MPKGYLXPSJDFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c1-27-16-4-2-15(3-5-16)21-18(25)17-12-14(6-7-20-17)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 4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide?
4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-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 4-(4-formylpiperazine-1-carbonyl)-N-(4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).