1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide

C19H20N4O — CID 139398325

IUPAC1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
SMILESCNc1ccc(Nc2ccc(NC(=O)c3cccn3C)cc2)cc1
InChIInChI=1S/C19H20N4O/c1-20-14-5-7-15(8-6-14)21-16-9-11-17(12-10-16)22-19(24)18-4-3-13-23(18)2/h3-13,20-21H,1-2H3,(H,22,24)
InChIKeyUWCNWXLQQKHZHZ-UHFFFAOYSA-N
MW320.40 g/mol
LogP4.06
Rot. Bonds5

About 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide

1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide (PubChem CID 139398325) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
PubChem CID139398325
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide
SMILESCNc1ccc(Nc2ccc(NC(=O)c3cccn3C)cc2)cc1
InChIInChI=1S/C19H20N4O/c1-20-14-5-7-15(8-6-14)21-16-9-11-17(12-10-16)22-19(24)18-4-3-13-23(18)2/h3-13,20-21H,1-2H3,(H,22,24)
InChIKeyUWCNWXLQQKHZHZ-UHFFFAOYSA-N
XLogP4.06
TPSA58.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_B(3)', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-1-methylpyrrole-2-carboxamide
CID 4791148
(2R)-2-methyl-3-[4-[(1-methylpyrrole-2-carbonyl)amino]phenyl]propanoic acid
CID 129401452
N-(4-bromo-3-fluorophenyl)-1-methylpyrrole-2-carboxamide
CID 65431810
N-[4-(butylsulfonylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 71874430
N-[3,5-bis(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 162733829
1-methyl-N-[4-methyl-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide
CID 55520483
N-(4-amino-3-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 61241405
N-[4-[4-[[4-[2-(hydroxymethyl)pyrrolidin-1-yl]benzoyl]amino]anilino]phenyl]-1-methylpyrrole-2-carboxamide
CID 71009266
N-(3-amino-4-methoxyphenyl)-1-methylpyrrole-2-carboxamide
CID 43599964
1-methyl-N-[4-(3-oxopiperazin-1-yl)phenyl]pyrrole-2-carboxamide
CID 78875733
N-[4-(2,3-dihydroindol-1-yl)phenyl]-1-methylpyrrole-2-carboxamide
CID 55882184
N-(2,6-difluorophenyl)-1-methylpyrrole-2-carboxamide
CID 67517600

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide?
The IUPAC name of 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide (CID 139398325) is 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide is CNc1ccc(Nc2ccc(NC(=O)c3cccn3C)cc2)cc1.
What is the InChIKey of 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide?
The InChIKey is UWCNWXLQQKHZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-20-14-5-7-15(8-6-14)21-16-9-11-17(12-10-16)22-19(24)18-4-3-13-23(18)2/h3-13,20-21H,1-2H3,(H,22,24).
What are the key properties of 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide?
1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide has a molecular weight of 320.40 g/mol, XLogP of 4.06, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[4-(methylamino)anilino]phenyl]pyrrole-2-carboxamide is sourced from PubChem (CID 139398325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).