5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide

C21H17Cl3N4O3 — CID 58202359

IUPAC5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
SMILESCC(=O)CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1ccc(Cl)n1-c1ncccc1Cl
InChIInChI=1S/C21H17Cl3N4O3/c1-11-8-13(22)9-14(20(30)26-10-12(2)29)18(11)27-21(31)16-5-6-17(24)28(16)19-15(23)4-3-7-25-19/h3-9H,10H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNWQNGHOOLIUOAV-UHFFFAOYSA-N
MW479.75 g/mol
LogP4.71
Rot. Bonds6

About 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide

5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (PubChem CID 58202359) has the molecular formula C21H17Cl3N4O3 and a molecular weight of 479.75 g/mol. Its IUPAC name is 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
PubChem CID58202359
Molecular FormulaC21H17Cl3N4O3
Molecular Weight479.75 g/mol
Exact Mass478.04
IUPAC Name5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide
SMILESCC(=O)CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1ccc(Cl)n1-c1ncccc1Cl
InChIInChI=1S/C21H17Cl3N4O3/c1-11-8-13(22)9-14(20(30)26-10-12(2)29)18(11)27-21(31)16-5-6-17(24)28(16)19-15(23)4-3-7-25-19/h3-9H,10H2,1-2H3,(H,26,30)(H,27,31)
InChIKeyNWQNGHOOLIUOAV-UHFFFAOYSA-N
XLogP4.71
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.75
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-chloro-2-pyridinyl)-N-[2,4-dimethyl-6-(2-oxopropylcarbamoyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 58202337
N-[4-chloro-2-[(2-cyclopropyl-2-oxoethyl)carbamoyl]-6-methylphenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202356
N-[4-chloro-2-methyl-6-[[2-(4-methylphenyl)-2-oxoethyl]carbamoyl]phenyl]-2-(3-chloro-2-pyridinyl)-5-methylpyrazole-3-carboxamide
CID 58202299
3-(acetamidomethyl)-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 50905436
3-bromo-1-(3-chloro-2-pyridinyl)-N-[4-cyano-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 58202277
2-[[2-[[2-[[3-bromo-1-(3-chloro-2-pyridinyl)pyrazole-5-carbonyl]amino]-5-chloro-3-methylbenzoyl]amino]acetyl]amino]acetic acid
CID 146015219
4-bromo-N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-5-ethylpyrrole-2-carboxamide
CID 170206423
3-bromo-1-(3-chloro-2-pyridinyl)-N-[2-methyl-4-nitro-6-(2-oxopropylcarbamoyl)phenyl]pyrazole-5-carboxamide
CID 58202420
N-[4-chloro-2-(hydrazinecarbonyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-4-methylpyrrole-2-carboxamide;ethane
CID 143438822
3-bromo-N-[4-chloro-2-(cyanomethylcarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxamide
CID 150047595
N-[4-chloro-2-methyl-6-(propylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(3-sulfanylidenecyclobutyl)oxypyrazole-5-carboxamide
CID 175077762
5-N-[4-chloro-2-(methoxycarbamoyl)-6-methylphenyl]-1-(3-chloro-2-pyridinyl)-3-N-methylpyrazole-3,5-dicarboxamide
CID 50907759

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
The IUPAC name of 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide (CID 58202359) is 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is CC(=O)CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1ccc(Cl)n1-c1ncccc1Cl.
What is the InChIKey of 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
The InChIKey is NWQNGHOOLIUOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl3N4O3/c1-11-8-13(22)9-14(20(30)26-10-12(2)29)18(11)27-21(31)16-5-6-17(24)28(16)19-15(23)4-3-7-25-19/h3-9H,10H2,1-2H3,(H,26,30)(H,27,31).
What are the key properties of 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide?
5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide has a molecular weight of 479.75 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-chloro-2-methyl-6-(2-oxopropylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)pyrrole-2-carboxamide is sourced from PubChem (CID 58202359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).