[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate

C21H18ClN3O3 — CID 46648454

IUPAC[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCc1nc(-c2ccccc2)ccc1C(=O)OC(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H18ClN3O3/c1-13-17(9-10-18(24-13)15-6-4-3-5-7-15)21(27)28-14(2)20(26)25-19-11-8-16(22)12-23-19/h3-12,14H,1-2H3,(H,23,25,26)
InChIKeyFKMOZDJKXUIWON-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.29
Rot. Bonds5

About [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate

[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate (PubChem CID 46648454) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate
PubChem CID46648454
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate
SMILESCc1nc(-c2ccccc2)ccc1C(=O)OC(C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C21H18ClN3O3/c1-13-17(9-10-18(24-13)15-6-4-3-5-7-15)21(27)28-14(2)20(26)25-19-11-8-16(22)12-23-19/h3-12,14H,1-2H3,(H,23,25,26)
InChIKeyFKMOZDJKXUIWON-UHFFFAOYSA-N
XLogP4.29
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] benzoate
CID 2517073
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-methyl-2-phenyl-1,3-oxazole-4-carboxylate
CID 42885988
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-hydroxynaphthalene-2-carboxylate
CID 7485921
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,3-dimethylbenzoate
CID 2572218
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 4-chloro-2-fluorobenzoate
CID 8664111
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-hydroxy-3-methylbenzoate
CID 7840552
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] pyridine-2-carboxylate
CID 7477460
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-nitrobenzoate
CID 30822885
[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate
CID 46648960
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
CID 41078762
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821819
[(2S)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] imidazo[1,2-a]pyridine-2-carboxylate
CID 7246982

Frequently Asked Questions

What is the IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate?
The IUPAC name of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate (CID 46648454) is [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate.
What is the SMILES notation for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate?
The canonical SMILES for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate is Cc1nc(-c2ccccc2)ccc1C(=O)OC(C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate?
The InChIKey is FKMOZDJKXUIWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c1-13-17(9-10-18(24-13)15-6-4-3-5-7-15)21(27)28-14(2)20(26)25-19-11-8-16(22)12-23-19/h3-12,14H,1-2H3,(H,23,25,26).
What are the key properties of [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate?
[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate has a molecular weight of 395.85 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2-methyl-6-phenylpyridine-3-carboxylate is sourced from PubChem (CID 46648454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).