N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide

C20H26N4O — CID 75385394

IUPACN-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NCc1cc(C#N)n(C)c1C
InChIInChI=1S/C20H26N4O/c1-13-7-8-16(23-19(25)20(3,4)5)10-18(13)22-12-15-9-17(11-21)24(6)14(15)2/h7-10,22H,12H2,1-6H3,(H,23,25)
InChIKeyFVQFADWTFJARCU-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.11
Rot. Bonds4

About N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide

N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide (PubChem CID 75385394) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide
PubChem CID75385394
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide
SMILESCc1ccc(NC(=O)C(C)(C)C)cc1NCc1cc(C#N)n(C)c1C
InChIInChI=1S/C20H26N4O/c1-13-7-8-16(23-19(25)20(3,4)5)10-18(13)22-12-15-9-17(11-21)24(6)14(15)2/h7-10,22H,12H2,1-6H3,(H,23,25)
InChIKeyFVQFADWTFJARCU-UHFFFAOYSA-N
XLogP4.11
TPSA69.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
4-[[5-(2,2-dimethylpropanoylamino)-2-methylanilino]methyl]benzoic acid
CID 122029834
1,5-dimethyl-4-[[(6-methyl-3-pyridinyl)amino]methyl]pyrrole-2-carbonitrile
CID 115742362
4-[(3-chloro-4-hydroxyanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 107678296
1,5-dimethyl-4-[(2,4,6-trimethylanilino)methyl]pyrrole-2-carbonitrile
CID 115977096
4-[(2-bromo-3-chloroanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 103478607
4-[(3-bromoanilino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 115584961
4-[[(2-bromo-3-pyridinyl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 114051573
4-[[(4-hydroxy-2-methylbutan-2-yl)amino]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 111469102
4-[(6-hydroxyhexylamino)methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 103924161
2,2-dimethyl-N-[2-methyl-5-[[2-(methylamino)acetyl]amino]phenyl]propanamide
CID 119780770
N-[3-[[2-(4-aminophenyl)acetyl]amino]-4-methylphenyl]-2,2-dimethylpropanamide;hydrochloride
CID 119780709

Frequently Asked Questions

What is the IUPAC name of N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide?
The IUPAC name of N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide (CID 75385394) is N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide is Cc1ccc(NC(=O)C(C)(C)C)cc1NCc1cc(C#N)n(C)c1C.
What is the InChIKey of N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide?
The InChIKey is FVQFADWTFJARCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-7-8-16(23-19(25)20(3,4)5)10-18(13)22-12-15-9-17(11-21)24(6)14(15)2/h7-10,22H,12H2,1-6H3,(H,23,25).
What are the key properties of N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide?
N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide has a molecular weight of 338.46 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylamino]-4-methylphenyl]-2,2-dimethylpropanamide is sourced from PubChem (CID 75385394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).