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

C14H14N4O — CID 62981947

IUPAC4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)cn1C)c1cccc(C#N)c1
InChIInChI=1S/C14H14N4O/c1-17-9-11(16)7-13(17)14(19)18(2)12-5-3-4-10(6-12)8-15/h3-7,9H,16H2,1-2H3
InChIKeyCRMGAINPDVYORB-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.76
Rot. Bonds2

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

4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide (PubChem CID 62981947) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide
PubChem CID62981947
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide
SMILESCN(C(=O)c1cc(N)cn1C)c1cccc(C#N)c1
InChIInChI=1S/C14H14N4O/c1-17-9-11(16)7-13(17)14(19)18(2)12-5-3-4-10(6-12)8-15/h3-7,9H,16H2,1-2H3
InChIKeyCRMGAINPDVYORB-UHFFFAOYSA-N
XLogP1.76
TPSA75.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-cyanophenyl)-N,2-dimethylpyrazole-3-carboxamide
CID 55153792
3,5-diamino-N-(3-cyanophenyl)-N-methylbenzamide
CID 62983145
4-amino-N-(3,5-dimethylphenyl)-N,1-dimethylpyrrole-2-carboxamide
CID 62001975
5-amino-N-(3-cyanophenyl)-N,1-dimethylpyrazole-4-carboxamide
CID 115330802
2-amino-N-(3-cyanophenyl)-4,5-difluoro-N-methylbenzamide
CID 62980898
2-amino-4-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 79723280
3-[(3-cyanophenyl)-methylcarbamoyl]benzoic acid
CID 62981166
2-amino-N-(3-cyanophenyl)-N-methylpropanamide
CID 62981812
N-(3-cyanophenyl)-N-methylthiophene-2-carboxamide
CID 47407929
3-bromo-N-(3-cyanophenyl)-N-methylbenzamide
CID 47407969
3-amino-5-bromo-N-(3-cyanophenyl)-N,2-dimethylbenzamide
CID 107872715
6-bromo-N-(3-cyanophenyl)-N-methylpyridine-2-carboxamide
CID 103874290

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide (CID 62981947) is 4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide is CN(C(=O)c1cc(N)cn1C)c1cccc(C#N)c1.
What is the InChIKey of 4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide?
The InChIKey is CRMGAINPDVYORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-17-9-11(16)7-13(17)14(19)18(2)12-5-3-4-10(6-12)8-15/h3-7,9H,16H2,1-2H3.
What are the key properties of 4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide?
4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-cyanophenyl)-N,1-dimethylpyrrole-2-carboxamide is sourced from PubChem (CID 62981947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).