4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide

C15H19N3O — CID 62474919

IUPAC4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
SMILESCc1cc(CNc2ccc(C(N)=O)cc2)c(C)n1C
InChIInChI=1S/C15H19N3O/c1-10-8-13(11(2)18(10)3)9-17-14-6-4-12(5-7-14)15(16)19/h4-8,17H,9H2,1-3H3,(H2,16,19)
InChIKeyGZYWHTWHCWTVIJ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.35
Rot. Bonds4

About 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide

4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide (PubChem CID 62474919) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide.

Molecular Properties

Compound Name4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
PubChem CID62474919
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
SMILESCc1cc(CNc2ccc(C(N)=O)cc2)c(C)n1C
InChIInChI=1S/C15H19N3O/c1-10-8-13(11(2)18(10)3)9-17-14-6-4-12(5-7-14)15(16)19/h4-8,17H,9H2,1-3H3,(H2,16,19)
InChIKeyGZYWHTWHCWTVIJ-UHFFFAOYSA-N
XLogP2.35
TPSA60.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]methanol
CID 113397661
N-[3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62473115
2-chloro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzoic acid
CID 62474405
2,4-difluoro-5-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide
CID 62472762
4-[(2-fluoro-5-methylphenyl)methylamino]benzamide
CID 103830288
N-[4-methyl-3-[(1,2,5-trimethylpyrrol-3-yl)methylamino]phenyl]acetamide
CID 62475308
4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]benzamide
CID 28614415
4-[(2-methoxy-5-methylphenyl)methylamino]benzamide
CID 43408573
4-(anilinomethyl)-3-methylbenzamide
CID 114479545
4-[(5-methyl-1H-pyrazol-4-yl)methylamino]benzamide
CID 43663501
3-N,3-N,4-trimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376878
3-N,3-N-dimethyl-1-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]benzene-1,3-diamine
CID 115376184

Frequently Asked Questions

What is the IUPAC name of 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide?
The IUPAC name of 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide (CID 62474919) is 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide.
What is the SMILES notation for 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide?
The canonical SMILES for 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide is Cc1cc(CNc2ccc(C(N)=O)cc2)c(C)n1C.
What is the InChIKey of 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide?
The InChIKey is GZYWHTWHCWTVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10-8-13(11(2)18(10)3)9-17-14-6-4-12(5-7-14)15(16)19/h4-8,17H,9H2,1-3H3,(H2,16,19).
What are the key properties of 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide?
4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide has a molecular weight of 257.34 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,2,5-trimethylpyrrol-3-yl)methylamino]benzamide is sourced from PubChem (CID 62474919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).