4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide

C14H18N4O — CID 106759320

IUPAC4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1cc(N)cn1C
InChIInChI=1S/C14H18N4O/c1-17(2)12-7-5-4-6-11(12)16-14(19)13-8-10(15)9-18(13)3/h4-9H,15H2,1-3H3,(H,16,19)
InChIKeyLFKCWVPAEWJTKG-UHFFFAOYSA-N
MW258.32 g/mol
LogP1.93
Rot. Bonds3

About 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide

4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 106759320) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID106759320
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCN(C)c1ccccc1NC(=O)c1cc(N)cn1C
InChIInChI=1S/C14H18N4O/c1-17(2)12-7-5-4-6-11(12)16-14(19)13-8-10(15)9-18(13)3/h4-9H,15H2,1-3H3,(H,16,19)
InChIKeyLFKCWVPAEWJTKG-UHFFFAOYSA-N
XLogP1.93
TPSA63.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 86929687
4-amino-N-(2,5-dichlorophenyl)-1-methylpyrrole-2-carboxamide
CID 43642621
4-amino-N-(4-carbamoylphenyl)-1-methylpyrrole-2-carboxamide
CID 43642890
methyl 4-[[4-[[4-[(4-amino-1-methylpyrrole-2-carbonyl)amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carbonyl]amino]-1-methylpyrrole-2-carboxylate
CID 147658735
5-amino-N-[2-(dimethylamino)phenyl]-1H-pyrazole-4-carboxamide
CID 106760594
4-amino-N-[2-fluoro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 63038394
4-amino-N-(4-bromo-2-cyanophenyl)-1-methylpyrrole-2-carboxamide
CID 82702967
4-amino-N-[1-(dimethylamino)propan-2-yl]-1-methylpyrrole-2-carboxamide
CID 82945823
4-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642876
4-amino-N-[2-chloro-5-(trifluoromethyl)phenyl]-1-methylpyrrole-2-carboxamide
CID 43642583
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
4-amino-1-methyl-N-pyrimidin-5-ylpyrrole-2-carboxamide
CID 107587408

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide (CID 106759320) is 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide is CN(C)c1ccccc1NC(=O)c1cc(N)cn1C.
What is the InChIKey of 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is LFKCWVPAEWJTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-17(2)12-7-5-4-6-11(12)16-14(19)13-8-10(15)9-18(13)3/h4-9H,15H2,1-3H3,(H,16,19).
What are the key properties of 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide?
4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 258.32 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 106759320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).