2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide

C22H20ClN3O3 — CID 5179011

IUPAC2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(C(C)=NNC(=O)c2cccnc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C22H20ClN3O3/c1-15(25-26-22(27)18-9-6-12-24-21(18)23)17-10-11-19(20(13-17)28-2)29-14-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyYIBYPFNTVAJBKZ-UHFFFAOYSA-N
MW409.87 g/mol
LogP4.48
Rot. Bonds7

About 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide

2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide (PubChem CID 5179011) has the molecular formula C22H20ClN3O3 and a molecular weight of 409.87 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
PubChem CID5179011
Molecular FormulaC22H20ClN3O3
Molecular Weight409.87 g/mol
Exact Mass409.12
IUPAC Name2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(C(C)=NNC(=O)c2cccnc2Cl)ccc1OCc1ccccc1
InChIInChI=1S/C22H20ClN3O3/c1-15(25-26-22(27)18-9-6-12-24-21(18)23)17-10-11-19(20(13-17)28-2)29-14-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H,26,27)
InChIKeyYIBYPFNTVAJBKZ-UHFFFAOYSA-N
XLogP4.48
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 54.48
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'}

Analyze 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[(Z)-N-[(2-chlorobenzoyl)amino]-C-methylcarbonimidoyl]-2-methoxyphenoxy]acetic acid
CID 9016230
N-[1-(4-methylphenyl)ethylideneamino]-2-phenylmethoxybenzamide
CID 4937869
N-[1-(3,4-dimethoxyphenyl)ethylideneamino]-3-phenylpropanamide
CID 4146056
2-hydroxy-N-[1-[4-methoxy-3-(pyrimidin-2-ylsulfanylmethyl)phenyl]ethylideneamino]benzamide
CID 4521127
N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-4-(4-methylanilino)butanamide
CID 5192074
N-[(E)-1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]-2-(4-nitropyrazol-1-yl)acetamide
CID 19660633
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532
N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 55975456
N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]quinoline-5-carboxamide
CID 26031383
N'-[1-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-N-(2,6-dimethylphenyl)oxamide
CID 4110074
3-methoxy-N-phenyl-4-phenylmethoxybenzamide
CID 5161412
4-[(4-chlorophenyl)methoxy]-3-methoxy-N-pyridin-2-ylbenzamide
CID 43016736

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide (CID 5179011) is 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide is COc1cc(C(C)=NNC(=O)c2cccnc2Cl)ccc1OCc1ccccc1.
What is the InChIKey of 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
The InChIKey is YIBYPFNTVAJBKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O3/c1-15(25-26-22(27)18-9-6-12-24-21(18)23)17-10-11-19(20(13-17)28-2)29-14-16-7-4-3-5-8-16/h3-13H,14H2,1-2H3,(H,26,27).
What are the key properties of 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide?
2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 4.48, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-(3-methoxy-4-phenylmethoxyphenyl)ethylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 5179011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).