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

C16H19N3O2 — CID 86929687

IUPAC4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ccccc2N(C)C)n(C)c1
InChIInChI=1S/C16H19N3O2/c1-11(20)12-9-15(19(4)10-12)16(21)17-13-7-5-6-8-14(13)18(2)3/h5-10H,1-4H3,(H,17,21)
InChIKeySVWQDOAUBXNUGT-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.55
Rot. Bonds4

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

4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide (PubChem CID 86929687) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
PubChem CID86929687
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
SMILESCC(=O)c1cc(C(=O)Nc2ccccc2N(C)C)n(C)c1
InChIInChI=1S/C16H19N3O2/c1-11(20)12-9-15(19(4)10-12)16(21)17-13-7-5-6-8-14(13)18(2)3/h5-10H,1-4H3,(H,17,21)
InChIKeySVWQDOAUBXNUGT-UHFFFAOYSA-N
XLogP2.55
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide
CID 106759320
4-acetyl-1-methyl-N-[2-(2,2,2-trifluoroethylamino)phenyl]pyrrole-2-carboxamide
CID 99773603
tert-butyl N-[[2-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]phenyl]methyl]-N-methylcarbamate
CID 86853941
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]thiophene-2-carboxylic acid
CID 43352735
4-acetyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]-1-methylpyrrole-2-carboxamide
CID 51257940
3-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]benzoic acid
CID 43350862
4-acetyl-1-methyl-N-(4-phenoxy-3-pyridinyl)pyrrole-2-carboxamide
CID 51103032
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
3-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760605
6-[(4-acetyl-1-methylpyrrole-2-carbonyl)amino]pyridine-2-carboxylic acid
CID 63643592
4-bromo-N-[2-(dimethylamino)phenyl]benzamide
CID 30875552
4-acetyl-1-methylpyrrole-2-carboxylic acid
CID 2764240

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide (CID 86929687) is 4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide is CC(=O)c1cc(C(=O)Nc2ccccc2N(C)C)n(C)c1.
What is the InChIKey of 4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is SVWQDOAUBXNUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11(20)12-9-15(19(4)10-12)16(21)17-13-7-5-6-8-14(13)18(2)3/h5-10H,1-4H3,(H,17,21).
What are the key properties of 4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide?
4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-(dimethylamino)phenyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 86929687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).