4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide

C15H19N3O2 — CID 61102984

IUPAC4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C15H19N3O2/c1-10(2)9-20-14-6-4-3-5-12(14)18-15(19)13-7-11(16)8-17-13/h3-8,10,17H,9,16H2,1-2H3,(H,18,19)
InChIKeyVSAMQEHLJUYDEQ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.88
Rot. Bonds5

About 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide

4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 61102984) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID61102984
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide
SMILESCC(C)COc1ccccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C15H19N3O2/c1-10(2)9-20-14-6-4-3-5-12(14)18-15(19)13-7-11(16)8-17-13/h3-8,10,17H,9,16H2,1-2H3,(H,18,19)
InChIKeyVSAMQEHLJUYDEQ-UHFFFAOYSA-N
XLogP2.88
TPSA80.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 60927264
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
CID 43642811
4-amino-N-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642919
4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide
CID 54963208
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225
4-ethoxy-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074278
4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
5-bromo-N-[2-(2-methylpropoxy)phenyl]pyridine-2-carboxamide
CID 62952857
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
4-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 61117898

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide (CID 61102984) is 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide is CC(C)COc1ccccc1NC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is VSAMQEHLJUYDEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10(2)9-20-14-6-4-3-5-12(14)18-15(19)13-7-11(16)8-17-13/h3-8,10,17H,9,16H2,1-2H3,(H,18,19).
What are the key properties of 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61102984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).