4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide

C14H16N4O2 — CID 61110887

IUPAC4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2cc(N)c[nH]2)c1
InChIInChI=1S/C14H16N4O2/c1-18(2)14(20)9-4-3-5-11(6-9)17-13(19)12-7-10(15)8-16-12/h3-8,16H,15H2,1-2H3,(H,17,19)
InChIKeyHAIJBGORQRFCGY-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.55
Rot. Bonds3

About 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide

4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide (PubChem CID 61110887) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
PubChem CID61110887
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)c2cc(N)c[nH]2)c1
InChIInChI=1S/C14H16N4O2/c1-18(2)14(20)9-4-3-5-11(6-9)17-13(19)12-7-10(15)8-16-12/h3-8,16H,15H2,1-2H3,(H,17,19)
InChIKeyHAIJBGORQRFCGY-UHFFFAOYSA-N
XLogP1.55
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-N-(3-chlorophenyl)-1H-pyrrole-2-carboxamide
CID 43642230
N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrazole-4-carboxamide
CID 60786152
3-[(4-acetamidobenzoyl)amino]-N,N-dimethylbenzamide
CID 134037398
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
N,N-dimethyl-3-[[4-(methylsulfonylmethyl)benzoyl]amino]benzamide
CID 32626914
N,N'-bis[3-(dimethylcarbamoyl)phenyl]butanediamide
CID 17232267
6-chloro-N-[3-(dimethylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 61041368
5,6-dibromo-N-[3-(dimethylcarbamoyl)phenyl]-1H-indole-3-carboxamide
CID 134046254
4-amino-N-(4-phenylphenyl)-1H-pyrrole-2-carboxamide
CID 61111725
4-amino-N-(3,4-dicyanophenyl)-1H-pyrrole-2-carboxamide
CID 107786819
4-amino-N-(4-iodophenyl)-1H-pyrrole-2-carboxamide
CID 43643239
N-[3-(dimethylcarbamoyl)phenyl]-3,5-dinitrobenzamide
CID 17231768

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide (CID 61110887) is 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide is CN(C)C(=O)c1cccc(NC(=O)c2cc(N)c[nH]2)c1.
What is the InChIKey of 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
The InChIKey is HAIJBGORQRFCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-18(2)14(20)9-4-3-5-11(6-9)17-13(19)12-7-10(15)8-16-12/h3-8,16H,15H2,1-2H3,(H,17,19).
What are the key properties of 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide?
4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide has a molecular weight of 272.31 g/mol, XLogP of 1.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[3-(dimethylcarbamoyl)phenyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 61110887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).