N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide

C14H17N3O — CID 116650019

IUPACN-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(N)cc2)n1C
InChIInChI=1S/C14H17N3O/c1-10-3-8-13(17(10)2)14(18)16-9-11-4-6-12(15)7-5-11/h3-8H,9,15H2,1-2H3,(H,16,18)
InChIKeyNGQRGRMOHGJGGV-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.85
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide

N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide (PubChem CID 116650019) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
PubChem CID116650019
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(N)cc2)n1C
InChIInChI=1S/C14H17N3O/c1-10-3-8-13(17(10)2)14(18)16-9-11-4-6-12(15)7-5-11/h3-8H,9,15H2,1-2H3,(H,16,18)
InChIKeyNGQRGRMOHGJGGV-UHFFFAOYSA-N
XLogP1.85
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-N-[[4-(pyridin-3-ylcarbamoyl)phenyl]methyl]pyrrole-2-carboxamide
CID 71929440
N-[2-(4-hydroxyphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 54903796
N-(2-aminobutyl)-1,5-dimethylpyrrole-2-carboxamide
CID 63732838
N-[(4-aminophenyl)methyl]-4-bromo-1-propylpyrrole-2-carboxamide
CID 116650037
4-[2-[(1,5-dimethylpyrrole-2-carbonyl)amino]ethyl]benzoic acid
CID 43665791
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[(4-aminophenyl)methyl]-2-fluoro-3-methylbenzamide
CID 81481324
1-methyl-N-[(4-methylphenyl)methyl]-6-oxopyridine-2-carboxamide
CID 97244759
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-1,5-dimethylpyrrole-2-carboxamide
CID 119526933
N-[(4-bromothiophen-2-yl)methyl]-1,5-dimethylpyrrole-2-carboxamide
CID 60794991
1,5-dimethyl-N-(quinolin-5-ylmethyl)pyrrole-2-carboxamide
CID 177323281
N-(5-hydroxypentyl)-1,5-dimethylpyrrole-2-carboxamide
CID 107318560

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide (CID 116650019) is N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide is Cc1ccc(C(=O)NCc2ccc(N)cc2)n1C.
What is the InChIKey of N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
The InChIKey is NGQRGRMOHGJGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10-3-8-13(17(10)2)14(18)16-9-11-4-6-12(15)7-5-11/h3-8H,9,15H2,1-2H3,(H,16,18).
What are the key properties of N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide?
N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-1,5-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 116650019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).