2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide

C17H18ClN3O3 — CID 3933448

IUPAC2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cccnc2Cl)c(OCC)c1
InChIInChI=1S/C17H18ClN3O3/c1-3-23-13-8-7-12(15(10-13)24-4-2)11-20-21-17(22)14-6-5-9-19-16(14)18/h5-11H,3-4H2,1-2H3,(H,21,22)
InChIKeyPWDRKMOYRASNCH-UHFFFAOYSA-N
MW347.80 g/mol
LogP3.30
Rot. Bonds7

About 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide

2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 3933448) has the molecular formula C17H18ClN3O3 and a molecular weight of 347.80 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID3933448
Molecular FormulaC17H18ClN3O3
Molecular Weight347.80 g/mol
Exact Mass347.10
IUPAC Name2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCCOc1ccc(C=NNC(=O)c2cccnc2Cl)c(OCC)c1
InChIInChI=1S/C17H18ClN3O3/c1-3-23-13-8-7-12(15(10-13)24-4-2)11-20-21-17(22)14-6-5-9-19-16(14)18/h5-11H,3-4H2,1-2H3,(H,21,22)
InChIKeyPWDRKMOYRASNCH-UHFFFAOYSA-N
XLogP3.30
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.80
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 110509275
N-[(5-bromo-2,4-diethoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 3948265
N-[(E)-(2,4-diethoxyphenyl)methylideneamino]-2-methylbenzamide
CID 19060943
2-bromo-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]benzamide
CID 29146958
2-chloro-N-[(E)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]pyridine-3-carboxamide
CID 135821657
2-chloro-N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-methylbenzamide
CID 126060130
N-[(Z)-(2,4-diethoxyphenyl)methylideneamino]-4-ethoxybenzamide
CID 29148688
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 4319773
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 5024902
methyl 2-[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxyphenoxy]acetate
CID 3513981
N-[(2,4-diethoxyphenyl)methylideneamino]-2-propylquinoline-4-carboxamide
CID 1226483
2-chloro-N-[(2-ethoxyphenyl)methylideneamino]benzamide
CID 904314

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide (CID 3933448) is 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide is CCOc1ccc(C=NNC(=O)c2cccnc2Cl)c(OCC)c1.
What is the InChIKey of 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is PWDRKMOYRASNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O3/c1-3-23-13-8-7-12(15(10-13)24-4-2)11-20-21-17(22)14-6-5-9-19-16(14)18/h5-11H,3-4H2,1-2H3,(H,21,22).
What are the key properties of 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 347.80 g/mol, XLogP of 3.30, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-diethoxyphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3933448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).