N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide

C18H21ClN2O3 — CID 131894203

IUPACN-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CCCOc2ccccc2Cl)cn1C
InChIInChI=1S/C18H21ClN2O3/c1-13-11-16(22)14(12-21(13)3)18(23)20(2)9-6-10-24-17-8-5-4-7-15(17)19/h4-5,7-8,11-12H,6,9-10H2,1-3H3
InChIKeyWYRPWGHEDZSBPV-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.89
Rot. Bonds6

About N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide

N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide (PubChem CID 131894203) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide
PubChem CID131894203
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC NameN-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)CCCOc2ccccc2Cl)cn1C
InChIInChI=1S/C18H21ClN2O3/c1-13-11-16(22)14(12-21(13)3)18(23)20(2)9-6-10-24-17-8-5-4-7-15(17)19/h4-5,7-8,11-12H,6,9-10H2,1-3H3
InChIKeyWYRPWGHEDZSBPV-UHFFFAOYSA-N
XLogP2.89
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(2-chlorophenoxy)propyl]-N,3-dimethylimidazole-4-carboxamide
CID 131941696
N-[3-(2-chlorophenoxy)propyl]-N-methyl-1H-pyrrole-3-carboxamide
CID 131889535
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 18119348
N-[3-(2-chlorophenoxy)propyl]-N-methyl-5-(pyrrolidin-1-ylmethyl)furan-2-carboxamide
CID 131946611
5-fluoro-2-methoxy-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide
CID 55897554
2-amino-N-methyl-N-[3-(2-methylphenoxy)propyl]benzamide;hydrochloride
CID 119944826
5-bromo-N-[2-(2-chlorophenoxy)ethyl]-N-methylthiophene-2-carboxamide
CID 60676187
(2S)-2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylpropanamide
CID 93368333
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
5-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylfuran-2-carboxamide
CID 103604079
N,2,5-trimethyl-N-[3-(2-methylphenoxy)propyl]-1-pyridin-2-ylpyrrole-3-carboxamide
CID 55956171
2-amino-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 54869980

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide (CID 131894203) is N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)CCCOc2ccccc2Cl)cn1C.
What is the InChIKey of N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide?
The InChIKey is WYRPWGHEDZSBPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-13-11-16(22)14(12-21(13)3)18(23)20(2)9-6-10-24-17-8-5-4-7-15(17)19/h4-5,7-8,11-12H,6,9-10H2,1-3H3.
What are the key properties of N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide?
N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide has a molecular weight of 348.83 g/mol, XLogP of 2.89, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenoxy)propyl]-N,1,6-trimethyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 131894203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).