4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide

C14H17N3O — CID 43642811

IUPAC4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H17N3O/c1-9(2)11-5-3-4-6-12(11)17-14(18)13-7-10(15)8-16-13/h3-9,16H,15H2,1-2H3,(H,17,18)
InChIKeyDYWUDKAYALLSFE-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.97
Rot. Bonds3

About 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide

4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide (PubChem CID 43642811) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
PubChem CID43642811
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide
SMILESCC(C)c1ccccc1NC(=O)c1cc(N)c[nH]1
InChIInChI=1S/C14H17N3O/c1-9(2)11-5-3-4-6-12(11)17-14(18)13-7-10(15)8-16-13/h3-9,16H,15H2,1-2H3,(H,17,18)
InChIKeyDYWUDKAYALLSFE-UHFFFAOYSA-N
XLogP2.97
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2-carbamoylphenyl)-1H-pyrrole-2-carboxamide
CID 43643909
4-amino-N-[2-(2-methylpropoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 61102984
3,5-diamino-N-(2-propan-2-ylphenyl)benzamide
CID 61092144
4-amino-N-(2-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 43642657
4-amino-N-(2-propylphenyl)-1H-pyrrole-2-carboxamide
CID 54963208
4-amino-N-[2-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide
CID 43642725
4-amino-N-[2-(trifluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43642919
4-amino-N-[2-(difluoromethoxy)phenyl]-1H-pyrrole-2-carboxamide
CID 43643328
N-(2-propan-2-ylphenyl)benzamide
CID 723391
2,4-dioxo-N-(2-propan-2-ylphenyl)-1H-pyrimidine-6-carboxamide
CID 110698304
2-iodo-N-(2-propan-2-ylphenyl)benzamide
CID 615900
5-amino-2-methyl-N-(2-propan-2-ylphenyl)pyridine-3-carboxamide
CID 61039486

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide (CID 43642811) is 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide is CC(C)c1ccccc1NC(=O)c1cc(N)c[nH]1.
What is the InChIKey of 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
The InChIKey is DYWUDKAYALLSFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-9(2)11-5-3-4-6-12(11)17-14(18)13-7-10(15)8-16-13/h3-9,16H,15H2,1-2H3,(H,17,18).
What are the key properties of 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide?
4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.97, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-propan-2-ylphenyl)-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 43642811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).