N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide

C20H18ClN3O3 — CID 87005498

IUPACN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cn1
InChIInChI=1S/C20H18ClN3O3/c1-2-27-18-9-7-14(11-22-18)20(26)23-16-8-10-19(25)24(13-16)12-15-5-3-4-6-17(15)21/h3-11,13H,2,12H2,1H3,(H,23,26)
InChIKeySVYYIYWDRJUWNW-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.60
Rot. Bonds6

About N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide (PubChem CID 87005498) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide
PubChem CID87005498
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cn1
InChIInChI=1S/C20H18ClN3O3/c1-2-27-18-9-7-14(11-22-18)20(26)23-16-8-10-19(25)24(13-16)12-15-5-3-4-6-17(15)21/h3-11,13H,2,12H2,1H3,(H,23,26)
InChIKeySVYYIYWDRJUWNW-UHFFFAOYSA-N
XLogP3.60
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-[(1-methylimidazol-2-yl)methoxy]benzamide
CID 55859027
1-[(2-chlorophenyl)methyl]-6-oxo-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 8671405
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-[(4-fluorobenzoyl)amino]benzamide
CID 46494415
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-4-ethyl-5-methylthiophene-2-carboxamide
CID 55804395
1-[(2-chlorophenyl)methyl]-N-(4-nitrophenyl)-6-oxopyridine-3-carboxamide
CID 8671412
6-chloro-N-(6-oxo-1-propyl-3-pyridinyl)pyridine-3-carboxamide
CID 47255260
ethyl N-[3-[[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]amino]-3-oxopropyl]carbamate
CID 47059053
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-hydroxy-5-methylbenzamide
CID 46494483
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 55804301
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-2-phenoxypropanamide
CID 55804143
1-[(2-chlorophenyl)methyl]-N-(3-iodophenyl)-6-oxopyridine-3-carboxamide
CID 24559544
1-[(2-chlorophenyl)methyl]-N-(2-methoxyphenyl)-6-oxopyridine-3-carboxamide
CID 8671416

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide (CID 87005498) is N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide is CCOc1ccc(C(=O)Nc2ccc(=O)n(Cc3ccccc3Cl)c2)cn1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide?
The InChIKey is SVYYIYWDRJUWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-2-27-18-9-7-14(11-22-18)20(26)23-16-8-10-19(25)24(13-16)12-15-5-3-4-6-17(15)21/h3-11,13H,2,12H2,1H3,(H,23,26).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide?
N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]-6-oxo-3-pyridinyl]-6-ethoxypyridine-3-carboxamide is sourced from PubChem (CID 87005498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).