1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide

C18H20ClN3O4 — CID 146154164

IUPAC1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O4/c1-20-16(23)8-9-21-18(25)13-6-7-17(24)22(12-13)10-11-26-15-5-3-2-4-14(15)19/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,25)
InChIKeyPCOHMHPGVVJSIJ-UHFFFAOYSA-N
MW377.83 g/mol
LogP1.45
Rot. Bonds8

About 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide

1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide (PubChem CID 146154164) has the molecular formula C18H20ClN3O4 and a molecular weight of 377.83 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide
PubChem CID146154164
Molecular FormulaC18H20ClN3O4
Molecular Weight377.83 g/mol
Exact Mass377.11
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1
InChIInChI=1S/C18H20ClN3O4/c1-20-16(23)8-9-21-18(25)13-6-7-17(24)22(12-13)10-11-26-15-5-3-2-4-14(15)19/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,25)
InChIKeyPCOHMHPGVVJSIJ-UHFFFAOYSA-N
XLogP1.45
TPSA89.43 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 ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-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

N-(7-chloro-1H-indazol-3-yl)-1-[2-(2-chlorophenoxy)ethyl]-6-oxopyridine-3-carboxamide
CID 146123342
N-[2-(2,3-dichlorophenyl)ethyl]-1-(2-methoxyethyl)-6-oxopyridine-3-carboxamide
CID 47062519
N-[2-(2-chlorophenoxy)ethyl]-4-fluorobenzamide
CID 99711043
N-[3,3-bis(4-fluorophenyl)propyl]-6-oxo-1-(2-phenoxyethyl)pyridine-3-carboxamide
CID 16679482
1-(2-methoxyethyl)-N-[2-(2-methylphenyl)ethyl]-6-oxopyridine-3-carboxamide
CID 47059590
3,4-dichloro-N-[2-(2-chlorophenoxy)ethyl]benzamide
CID 113099351
N-[2-(2-chlorophenoxy)ethyl]-5-methylfuran-3-carboxamide
CID 3150911
1-(2-methoxyethyl)-6-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47062505
3-[1-[2-(2-chlorophenoxy)ethyl]indole-3-carbonyl]-N-methylbenzamide
CID 146154131
1-[4-(methylamino)-4-oxobutyl]-6-oxopyridine-3-carboxylic acid
CID 63892934
1-[(2-chlorophenyl)methyl]-6-oxo-N-(2-phenylethyl)pyridine-3-carboxamide
CID 16573910
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-(2-methoxyethyl)benzamide
CID 17218233

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide (CID 146154164) is 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide is CNC(=O)CCNC(=O)c1ccc(=O)n(CCOc2ccccc2Cl)c1.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide?
The InChIKey is PCOHMHPGVVJSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O4/c1-20-16(23)8-9-21-18(25)13-6-7-17(24)22(12-13)10-11-26-15-5-3-2-4-14(15)19/h2-7,12H,8-11H2,1H3,(H,20,23)(H,21,25).
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide?
1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide has a molecular weight of 377.83 g/mol, XLogP of 1.45, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-N-[3-(methylamino)-3-oxopropyl]-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 146154164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).