methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate

C22H21Cl2N3O3 — CID 90015712

IUPACmethyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate
SMILESCOC(=O)c1ccn(C2CC2)c1C(Nc1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2N3O3/c1-26-12-15(11-18(24)21(26)28)25-19(13-3-5-14(23)6-4-13)20-17(22(29)30-2)9-10-27(20)16-7-8-16/h3-6,9-12,16,19,25H,7-8H2,1-2H3
InChIKeyCPXMJYIZLUAVIS-UHFFFAOYSA-N
MW446.33 g/mol
LogP4.82
Rot. Bonds6

About methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate

methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate (PubChem CID 90015712) has the molecular formula C22H21Cl2N3O3 and a molecular weight of 446.33 g/mol. Its IUPAC name is methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate
PubChem CID90015712
Molecular FormulaC22H21Cl2N3O3
Molecular Weight446.33 g/mol
Exact Mass445.10
IUPAC Namemethyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate
SMILESCOC(=O)c1ccn(C2CC2)c1C(Nc1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1
InChIInChI=1S/C22H21Cl2N3O3/c1-26-12-15(11-18(24)21(26)28)25-19(13-3-5-14(23)6-4-13)20-17(22(29)30-2)9-10-27(20)16-7-8-16/h3-6,9-12,16,19,25H,7-8H2,1-2H3
InChIKeyCPXMJYIZLUAVIS-UHFFFAOYSA-N
XLogP4.82
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.33
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate with MolForge

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Related Compounds

methyl 2-[[(1,5-dimethyl-6-oxo-3-pyridinyl)amino]-(4-fluorophenyl)methyl]-1-methylpyrrole-3-carboxylate
CID 118095275
N'-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-N-cyclopentyloxamide
CID 75477414
[2-[(4-chlorophenyl)-hydroxymethyl]-1-cyclopropylpyrrol-3-yl] acetate
CID 175287634
N-(5-chloro-1-methyl-6-oxo-3-pyridinyl)-2-[2-[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-2-oxoethoxy]acetamide
CID 166199017
methyl 5-chloro-2-[(1-cyclopropylindol-5-yl)methyl]benzoate
CID 161355988
methyl 2-chloro-5-[(1,5-dimethyl-6-oxo-3-pyridinyl)carbamoyl]benzoate
CID 166386868
methyl 1-(4-hydroxycyclohexyl)-2-oxopyridine-3-carboxylate
CID 137450552
methyl 6-cyclopropyl-2-methyl-5-oxo-1,6-naphthyridine-3-carboxylate
CID 43864520
methyl 2-fluoro-4-[[1-(4-hydroxycyclohexyl)-4-methyl-2-oxopyridine-3-carbonyl]amino]benzoate
CID 175640994
methyl 1-cyclobutyl-2-oxopyridine-3-carboxylate
CID 139390457
methyl 2-chloro-5-[(2-oxopyrrolidin-3-yl)carbamoylamino]benzoate
CID 118788746
methyl 2-chloro-5-[(4-chlorophenyl)carbamoylamino]benzoate
CID 84514488

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate?
The IUPAC name of methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate (CID 90015712) is methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate.
What is the SMILES notation for methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate?
The canonical SMILES for methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate is COC(=O)c1ccn(C2CC2)c1C(Nc1cc(Cl)c(=O)n(C)c1)c1ccc(Cl)cc1.
What is the InChIKey of methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate?
The InChIKey is CPXMJYIZLUAVIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl2N3O3/c1-26-12-15(11-18(24)21(26)28)25-19(13-3-5-14(23)6-4-13)20-17(22(29)30-2)9-10-27(20)16-7-8-16/h3-6,9-12,16,19,25H,7-8H2,1-2H3.
What are the key properties of methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate?
methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate has a molecular weight of 446.33 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(5-chloro-1-methyl-6-oxo-3-pyridinyl)amino]-(4-chlorophenyl)methyl]-1-cyclopropylpyrrole-3-carboxylate is sourced from PubChem (CID 90015712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).