N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide

C20H17ClN4O3 — CID 3703311

IUPACN-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cnccn2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O3/c1-27-19-10-15(11-24-25-20(26)17-12-22-8-9-23-17)4-7-18(19)28-13-14-2-5-16(21)6-3-14/h2-12H,13H2,1H3,(H,25,26)
InChIKeyUEPJTOFNFAZHCA-UHFFFAOYSA-N
MW396.83 g/mol
LogP3.48
Rot. Bonds7

About N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide

N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide (PubChem CID 3703311) has the molecular formula C20H17ClN4O3 and a molecular weight of 396.83 g/mol. Its IUPAC name is N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide
PubChem CID3703311
Molecular FormulaC20H17ClN4O3
Molecular Weight396.83 g/mol
Exact Mass396.10
IUPAC NameN-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide
SMILESCOc1cc(C=NNC(=O)c2cnccn2)ccc1OCc1ccc(Cl)cc1
InChIInChI=1S/C20H17ClN4O3/c1-27-19-10-15(11-24-25-20(26)17-12-22-8-9-23-17)4-7-18(19)28-13-14-2-5-16(21)6-3-14/h2-12H,13H2,1H3,(H,25,26)
InChIKeyUEPJTOFNFAZHCA-UHFFFAOYSA-N
XLogP3.48
TPSA85.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(4-ethoxy-3-methoxyphenyl)methylideneamino]pyrazine-2-carboxamide
CID 950063
4-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6087922
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3,4,5-trimethoxybenzamide
CID 6031125
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 3623673
N-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-3,4-dimethoxybenzamide
CID 3856625
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 6166221
3-chloro-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzamide
CID 126058582
3-bromo-N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 6034793
1-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-pyridin-3-ylthiourea
CID 5141407
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-hydroxynaphthalene-2-carboxamide
CID 6092862
N-[[3-[(4-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methoxybenzamide
CID 1001655
2,4-dichloro-N-[(E)-[4-[(4-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 96885111

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide?
The IUPAC name of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide (CID 3703311) is N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide.
What is the SMILES notation for N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide?
The canonical SMILES for N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide is COc1cc(C=NNC(=O)c2cnccn2)ccc1OCc1ccc(Cl)cc1.
What is the InChIKey of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide?
The InChIKey is UEPJTOFNFAZHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O3/c1-27-19-10-15(11-24-25-20(26)17-12-22-8-9-23-17)4-7-18(19)28-13-14-2-5-16(21)6-3-14/h2-12H,13H2,1H3,(H,25,26).
What are the key properties of N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide?
N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide has a molecular weight of 396.83 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]pyrazine-2-carboxamide is sourced from PubChem (CID 3703311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).