2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide

C15H15ClN2O3 — CID 60795263

IUPAC2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1cc(NC(=O)c2ccnc(Cl)c2)ccc1OC
InChIInChI=1S/C15H15ClN2O3/c1-3-21-13-9-11(4-5-12(13)20-2)18-15(19)10-6-7-17-14(16)8-10/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyYIIFZAAOMSZFMP-UHFFFAOYSA-N
MW306.75 g/mol
LogP3.39
Rot. Bonds5

About 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide

2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 60795263) has the molecular formula C15H15ClN2O3 and a molecular weight of 306.75 g/mol. Its IUPAC name is 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID60795263
Molecular FormulaC15H15ClN2O3
Molecular Weight306.75 g/mol
Exact Mass306.08
IUPAC Name2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide
SMILESCCOc1cc(NC(=O)c2ccnc(Cl)c2)ccc1OC
InChIInChI=1S/C15H15ClN2O3/c1-3-21-13-9-11(4-5-12(13)20-2)18-15(19)10-6-7-17-14(16)8-10/h4-9H,3H2,1-2H3,(H,18,19)
InChIKeyYIIFZAAOMSZFMP-UHFFFAOYSA-N
XLogP3.39
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-4-carboxamide
CID 60693051
N-[3-[(3-ethoxy-4-methoxybenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 39676955
2,6-dichloro-N-[4-methoxy-3-(2-methoxyethoxy)phenyl]pyridine-4-carboxamide
CID 86930838
1-N,4-N-bis(4-ethoxy-3-methoxyphenyl)benzene-1,4-dicarboxamide
CID 24645019
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
2-chloro-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxamide
CID 32696205
N-(3-chloro-4-ethoxyphenyl)pyridine-4-carboxamide
CID 110777433
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
ethyl 4-[(3-ethoxy-4-methoxybenzoyl)amino]benzoate
CID 2988460
2-(3,4-dimethoxyanilino)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109178168
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
N-(3-chloro-4-methylphenyl)-4-ethoxy-3-methoxybenzamide
CID 3894156

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide (CID 60795263) is 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide is CCOc1cc(NC(=O)c2ccnc(Cl)c2)ccc1OC.
What is the InChIKey of 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is YIIFZAAOMSZFMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O3/c1-3-21-13-9-11(4-5-12(13)20-2)18-15(19)10-6-7-17-14(16)8-10/h4-9H,3H2,1-2H3,(H,18,19).
What are the key properties of 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide?
2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 306.75 g/mol, XLogP of 3.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3-ethoxy-4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 60795263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).