4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide

C15H19N3O — CID 62001975

IUPAC4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cc(N)cn2C)c1
InChIInChI=1S/C15H19N3O/c1-10-5-11(2)7-13(6-10)18(4)15(19)14-8-12(16)9-17(14)3/h5-9H,16H2,1-4H3
InChIKeyOSAHSUSEWOELKF-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.50
Rot. Bonds2

About 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide

4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 62001975) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide
PubChem CID62001975
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cc(N)cn2C)c1
InChIInChI=1S/C15H19N3O/c1-10-5-11(2)7-13(6-10)18(4)15(19)14-8-12(16)9-17(14)3/h5-9H,16H2,1-4H3
InChIKeyOSAHSUSEWOELKF-UHFFFAOYSA-N
XLogP2.50
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide (CID 62001975) is 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide is Cc1cc(C)cc(N(C)C(=O)c2cc(N)cn2C)c1.
What is the InChIKey of 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is OSAHSUSEWOELKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-5-11(2)7-13(6-10)18(4)15(19)14-8-12(16)9-17(14)3/h5-9H,16H2,1-4H3.
What are the key properties of 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide?
4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 62001975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).