N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide

C18H21N3O3 — CID 171980836

IUPACN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide
SMILESCCc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C18H21N3O3/c1-5-13-6-8-15(19-11-13)18(22)21-20-12(2)14-7-9-16(23-3)17(10-14)24-4/h6-11H,5H2,1-4H3,(H,21,22)/b20-12-
InChIKeyCUTBUDNBYYBLKS-NDENLUEZSA-N
MW327.38 g/mol
LogP2.82
Rot. Bonds6

About N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide

N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide (PubChem CID 171980836) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide
PubChem CID171980836
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide
SMILESCCc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)nc1
InChIInChI=1S/C18H21N3O3/c1-5-13-6-8-15(19-11-13)18(22)21-20-12(2)14-7-9-16(23-3)17(10-14)24-4/h6-11H,5H2,1-4H3,(H,21,22)/b20-12-
InChIKeyCUTBUDNBYYBLKS-NDENLUEZSA-N
XLogP2.82
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-4-fluorobenzamide
CID 3543843
4-bromo-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]benzamide
CID 4085100
5-tert-butyl-N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-1H-pyrazole-3-carboxamide
CID 681554
N-[(E)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 7098508
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]furan-2-carboxamide
CID 760187
N,N'-bis[1-(3,4-dimethoxyphenyl)ethylideneamino]octanediamide
CID 5058567
3,4-dimethoxy-N-[(Z)-1-(6-methoxynaphthalen-2-yl)ethylideneamino]benzamide
CID 6180512
N-[1-(4-ethylphenyl)ethylideneamino]-2,4-dimethoxybenzamide
CID 4224310
2-cyano-N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]acetamide
CID 92664451
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-nitrobenzamide
CID 5339753
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]thiophene-2-carboxamide
CID 5402037

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide?
The IUPAC name of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide (CID 171980836) is N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide.
What is the SMILES notation for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide?
The canonical SMILES for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide is CCc1ccc(C(=O)N/N=C(/C)c2ccc(OC)c(OC)c2)nc1.
What is the InChIKey of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide?
The InChIKey is CUTBUDNBYYBLKS-NDENLUEZSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-5-13-6-8-15(19-11-13)18(22)21-20-12(2)14-7-9-16(23-3)17(10-14)24-4/h6-11H,5H2,1-4H3,(H,21,22)/b20-12-.
What are the key properties of N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide?
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-5-ethylpyridine-2-carboxamide is sourced from PubChem (CID 171980836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).