4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide

C13H15N3O2 — CID 61117898

IUPAC4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H15N3O2/c1-8-3-4-10(12(5-8)18-2)16-13(17)11-6-9(14)7-15-11/h3-7,15H,14H2,1-2H3,(H,16,17)
InChIKeyWBODXUQGTPFEMK-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.17
Rot. Bonds3

About 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 61117898) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID61117898
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
SMILESCOc1cc(C)ccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C13H15N3O2/c1-8-3-4-10(12(5-8)18-2)16-13(17)11-6-9(14)7-15-11/h3-7,15H,14H2,1-2H3,(H,16,17)
InChIKeyWBODXUQGTPFEMK-UHFFFAOYSA-N
XLogP2.17
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64526078
4-amino-2-chloro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117425
5-amino-2-fluoro-N-(2-methoxy-4-methylphenyl)benzamide
CID 61117897
N-(2-methoxy-4-methylphenyl)-1H-indole-3-carboxamide
CID 60933429
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
4-amino-N-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642919
4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 61102984
N-(4-amino-2-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 63085782
2-bromo-N-(2-methoxy-4-methylphenyl)-3-methylbenzamide
CID 103853431
4-amino-N-(2-methoxy-4-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 65354104
4-bromo-2-methoxy-N-(2-methoxy-4-methylphenyl)benzamide
CID 78987785
4-amino-N-(2-bromo-4-fluorophenyl)-1H-pyrrole-2-carboxamide
CID 43643192

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide (CID 61117898) is 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide is COc1cc(C)ccc1NC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is WBODXUQGTPFEMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-3-4-10(12(5-8)18-2)16-13(17)11-6-9(14)7-15-11/h3-7,15H,14H2,1-2H3,(H,16,17).
What are the key properties of 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 245.28 g/mol, XLogP of 2.17, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61117898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).