3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide

C18H20ClN3O4 — CID 48503176

IUPAC3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)NCC(=O)NCc2ccc(OC)cc2)n1
InChIInChI=1S/C18H20ClN3O4/c1-3-26-16-9-8-14(19)17(22-16)18(24)21-11-15(23)20-10-12-4-6-13(25-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHLYBNPAEBRYNRX-UHFFFAOYSA-N
MW377.83 g/mol
LogP2.19
Rot. Bonds8

About 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide

3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 48503176) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID48503176
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCCOc1ccc(Cl)c(C(=O)NCC(=O)NCc2ccc(OC)cc2)n1
InChIInChI=1S/C18H20ClN3O4/c1-3-26-16-9-8-14(19)17(22-16)18(24)21-11-15(23)20-10-12-4-6-13(25-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,20,23)(H,21,24)
InChIKeyHLYBNPAEBRYNRX-UHFFFAOYSA-N
XLogP2.19
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.83
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-ethoxy-N-methylpyridine-2-carboxamide
CID 47377989
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-2-(4-methoxyphenyl)acetamide
CID 110285268
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-4-ethoxybenzamide
CID 27660429
3,4-dichloro-N-[(4-methoxyphenyl)methyl]benzamide
CID 789214
2-(3-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 112977714
N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51163773
2-fluoro-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]benzamide
CID 9165878
2-[[N-ethyl-N'-[(4-methoxyphenyl)methyl]carbamimidoyl]amino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 111184068
2-(3,4-dichlorophenoxy)-N-[(4-ethoxy-3-methoxyphenyl)methyl]acetamide
CID 55660605
N-[(4-chlorophenyl)methyl]-2-(4-methoxyphenoxy)acetamide
CID 809048
N-[(4-methoxyphenyl)methyl]-2-[[2-(4-methylphenoxy)acetyl]amino]acetamide
CID 48501757
2-(2-ethoxyphenoxy)-N-[(4-methoxyphenyl)methyl]acetamide
CID 16544819

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide (CID 48503176) is 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide is CCOc1ccc(Cl)c(C(=O)NCC(=O)NCc2ccc(OC)cc2)n1.
What is the InChIKey of 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is HLYBNPAEBRYNRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-3-26-16-9-8-14(19)17(22-16)18(24)21-11-15(23)20-10-12-4-6-13(25-2)7-5-12/h4-9H,3,10-11H2,1-2H3,(H,20,23)(H,21,24).
What are the key properties of 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide?
3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-ethoxy-N-[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 48503176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).