2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide

C26H21ClIN3O3 — CID 3943827

IUPAC2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cccnc2Cl)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C26H21ClIN3O3/c1-2-33-23-14-17(15-30-31-26(32)21-11-6-12-29-25(21)27)13-22(28)24(23)34-16-19-9-5-8-18-7-3-4-10-20(18)19/h3-15H,2,16H2,1H3,(H,31,32)
InChIKeyMNAXAAODPKSUOC-UHFFFAOYSA-N
MW585.83 g/mol
LogP6.23
Rot. Bonds8

About 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide

2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide (PubChem CID 3943827) has the molecular formula C26H21ClIN3O3 and a molecular weight of 585.83 g/mol. Its IUPAC name is 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
PubChem CID3943827
Molecular FormulaC26H21ClIN3O3
Molecular Weight585.83 g/mol
Exact Mass585.03
IUPAC Name2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide
SMILESCCOc1cc(C=NNC(=O)c2cccnc2Cl)cc(I)c1OCc1cccc2ccccc12
InChIInChI=1S/C26H21ClIN3O3/c1-2-33-23-14-17(15-30-31-26(32)21-11-6-12-29-25(21)27)13-22(28)24(23)34-16-19-9-5-8-18-7-3-4-10-20(18)19/h3-15H,2,16H2,1H3,(H,31,32)
InChIKeyMNAXAAODPKSUOC-UHFFFAOYSA-N
XLogP6.23
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.83
LogP ≤ 56.23
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]pyridine-3-carboxamide
CID 3992862
N-[[4-[(4-bromophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-chloropyridine-3-carboxamide
CID 3280407
3-[[4-[[(2-chloropyridine-3-carbonyl)hydrazinylidene]methyl]-2-ethoxy-6-iodophenoxy]methyl]benzoic acid
CID 4264998
N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]thiophene-2-carboxamide
CID 124533302
N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-methoxybenzamide
CID 126376552
N-[[3,5-diiodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-hydroxybenzamide
CID 4099852
N-[(E)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-methylbenzamide
CID 19060876
2-chloro-N-[(Z)-[3-iodo-5-methoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-4-methylbenzamide
CID 126059438
2-chloro-N-[(Z)-[4-[(2-chlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-4-methylbenzamide
CID 126058165
2-chloro-N-[[3-chloro-5-ethoxy-4-[(3-methylphenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 3912707
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methylideneamino]-2-chloropyridine-3-carboxamide
CID 5024902
2-(3,4-dimethylphenyl)-N-[(Z)-[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]acetamide
CID 6137985

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide (CID 3943827) is 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide is CCOc1cc(C=NNC(=O)c2cccnc2Cl)cc(I)c1OCc1cccc2ccccc12.
What is the InChIKey of 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
The InChIKey is MNAXAAODPKSUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClIN3O3/c1-2-33-23-14-17(15-30-31-26(32)21-11-6-12-29-25(21)27)13-22(28)24(23)34-16-19-9-5-8-18-7-3-4-10-20(18)19/h3-15H,2,16H2,1H3,(H,31,32).
What are the key properties of 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide?
2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide has a molecular weight of 585.83 g/mol, XLogP of 6.23, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[3-ethoxy-5-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 3943827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).