2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

C16H17ClN2O3 — CID 84575899

IUPAC2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(Cl)nc(OC)c2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-10(11-4-6-13(21-2)7-5-11)18-16(20)12-8-14(17)19-15(9-12)22-3/h4-10H,1-3H3,(H,18,20)
InChIKeyVVONZQTYQURHNQ-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.24
Rot. Bonds5

About 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 84575899) has the molecular formula C16H17ClN2O3 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID84575899
Molecular FormulaC16H17ClN2O3
Molecular Weight320.78 g/mol
Exact Mass320.09
IUPAC Name2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCOc1ccc(C(C)NC(=O)c2cc(Cl)nc(OC)c2)cc1
InChIInChI=1S/C16H17ClN2O3/c1-10(11-4-6-13(21-2)7-5-11)18-16(20)12-8-14(17)19-15(9-12)22-3/h4-10H,1-3H3,(H,18,20)
InChIKeyVVONZQTYQURHNQ-UHFFFAOYSA-N
XLogP3.24
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.24
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

1-N,4-N-bis[(1S)-1-(4-methoxyphenyl)ethyl]benzene-1,4-dicarboxamide
CID 2211003
2-chloro-6-methoxy-N-(4-methoxyphenyl)pyridine-4-carboxamide
CID 84580985
4-amino-3-chloro-N-[1-(4-methoxyphenyl)ethyl]benzamide
CID 66196616
4-amino-3-chloro-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81368815
N-[(1R)-1-(4-methoxyphenyl)ethyl]-3,5-dinitrobenzamide
CID 7034969
N-hydroxy-4-[(1R)-1-[(4-methoxybenzoyl)amino]ethyl]benzamide
CID 58417539
2-chloro-6-hydrazinyl-N-[1-(4-methylphenyl)ethyl]pyridine-4-carboxamide
CID 62248978
2,5-dichloro-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 114918638
3,4-dimethoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 831207
5-chloro-2-hydroxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 155540745
3,5-dimethoxy-N-[(1S)-1-(4-methylphenyl)ethyl]benzamide
CID 94012593
4-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 81364308

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 84575899) is 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is COc1ccc(C(C)NC(=O)c2cc(Cl)nc(OC)c2)cc1.
What is the InChIKey of 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is VVONZQTYQURHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2O3/c1-10(11-4-6-13(21-2)7-5-11)18-16(20)12-8-14(17)19-15(9-12)22-3/h4-10H,1-3H3,(H,18,20).
What are the key properties of 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methoxy-N-[1-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 84575899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).