methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate

C20H17Cl2N3O4 — CID 11845854

IUPACmethyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc2)cnc1OC
InChIInChI=1S/C20H17Cl2N3O4/c1-10-15(21)16(22)17(24-10)18(26)25-13-6-4-11(5-7-13)12-8-14(20(27)29-3)19(28-2)23-9-12/h4-9,24H,1-3H3,(H,25,26)
InChIKeyLQTVIAGYRNNMJR-UHFFFAOYSA-N
MW434.28 g/mol
LogP4.74
Rot. Bonds5

About methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate

methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate (PubChem CID 11845854) has the molecular formula C20H17Cl2N3O4 and a molecular weight of 434.28 g/mol. Its IUPAC name is methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate
PubChem CID11845854
Molecular FormulaC20H17Cl2N3O4
Molecular Weight434.28 g/mol
Exact Mass433.06
IUPAC Namemethyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc2)cnc1OC
InChIInChI=1S/C20H17Cl2N3O4/c1-10-15(21)16(22)17(24-10)18(26)25-13-6-4-11(5-7-13)12-8-14(20(27)29-3)19(28-2)23-9-12/h4-9,24H,1-3H3,(H,25,26)
InChIKeyLQTVIAGYRNNMJR-UHFFFAOYSA-N
XLogP4.74
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate with MolForge

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Related Compounds

2-chloro-5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]pyridine-3-carboxylic acid
CID 11846213
methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-(2-ethoxyethylamino)pyridine-3-carboxylate
CID 69432801
5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-(2-methoxyethylamino)pyridine-3-carboxylic acid
CID 11846380
2-chloro-5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-4-methylpyridine-3-carboxylic acid
CID 87802322
5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-1,2-oxazole-3-carboxylic acid
CID 69377352
methyl 2-methoxy-5-methylpyridine-3-carboxylate
CID 22678367
ethyl 2-methoxy-5-pyridin-4-ylpyridine-3-carboxylate
CID 46317910
methyl 2,4-dimethyl-5-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 34552152
2-methoxy-5-(4-methoxyphenyl)pyridine-3-carboxylic acid
CID 53222794
methyl 5-(2-amino-1,3-benzothiazol-6-yl)-2-methoxypyridine-3-carboxylate
CID 155146767
methyl 2-chloro-5-(6-methyl-3-pyridinyl)benzoate
CID 58818175
methyl 5-[(3-chloro-4-methoxyphenyl)carbamoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 25393428

Frequently Asked Questions

What is the IUPAC name of methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate?
The IUPAC name of methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate (CID 11845854) is methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate?
The canonical SMILES for methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate is COC(=O)c1cc(-c2ccc(NC(=O)c3[nH]c(C)c(Cl)c3Cl)cc2)cnc1OC.
What is the InChIKey of methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate?
The InChIKey is LQTVIAGYRNNMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl2N3O4/c1-10-15(21)16(22)17(24-10)18(26)25-13-6-4-11(5-7-13)12-8-14(20(27)29-3)19(28-2)23-9-12/h4-9,24H,1-3H3,(H,25,26).
What are the key properties of methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate?
methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate has a molecular weight of 434.28 g/mol, XLogP of 4.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[4-[(3,4-dichloro-5-methyl-1H-pyrrole-2-carbonyl)amino]phenyl]-2-methoxypyridine-3-carboxylate is sourced from PubChem (CID 11845854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).