N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide

C16H21N3O — CID 66399583

IUPACN,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCc1ccn(C)c1
InChIInChI=1S/C16H21N3O/c1-12-5-6-14(16(20)18(2)3)9-15(12)17-10-13-7-8-19(4)11-13/h5-9,11,17H,10H2,1-4H3
InChIKeyYEIFDPJSXJFNOO-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.65
Rot. Bonds4

About N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide

N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide (PubChem CID 66399583) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
PubChem CID66399583
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
SMILESCc1ccc(C(=O)N(C)C)cc1NCc1ccn(C)c1
InChIInChI=1S/C16H21N3O/c1-12-5-6-14(16(20)18(2)3)9-15(12)17-10-13-7-8-19(4)11-13/h5-9,11,17H,10H2,1-4H3
InChIKeyYEIFDPJSXJFNOO-UHFFFAOYSA-N
XLogP2.65
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1,5-dimethylpyrazol-4-yl)methylamino]-N,N,4-trimethylbenzamide
CID 79569576
4-N,4-N,2-trimethyl-1-N-[(1-methylpyrrol-3-yl)methyl]benzene-1,4-diamine
CID 66400206
4-fluoro-3-[(1-methylpyrrol-3-yl)methylamino]benzoic acid
CID 66398973
4-chloro-3-[(1-methylpyrrol-3-yl)methylamino]benzamide
CID 66398095
2-methyl-N-[(1-methylpyrrol-3-yl)methyl]-5-(tetrazol-1-yl)aniline
CID 66400009
3-[[3-(1,5-dimethylpyrazol-4-yl)-1,2-oxazol-5-yl]methylamino]-N,N,4-trimethylbenzamide
CID 126773855
4-amino-N,N-dimethyl-3-[(1-methylpyrazol-4-yl)methylamino]benzamide
CID 63361195
N,N,4-trimethyl-3-(propanoylamino)benzamide
CID 60650905
N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656532
4-chloro-2-methyl-N-[(1-methylpyrrol-3-yl)methyl]aniline
CID 66399769
N,N,4-trimethyl-3-(2-methylpentan-3-ylamino)benzamide
CID 43783525
N,N,4-trimethyl-3-(oxolan-3-ylmethylamino)benzamide
CID 43695009

Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The IUPAC name of N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide (CID 66399583) is N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide.
What is the SMILES notation for N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The canonical SMILES for N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide is Cc1ccc(C(=O)N(C)C)cc1NCc1ccn(C)c1.
What is the InChIKey of N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
The InChIKey is YEIFDPJSXJFNOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12-5-6-14(16(20)18(2)3)9-15(12)17-10-13-7-8-19(4)11-13/h5-9,11,17H,10H2,1-4H3.
What are the key properties of N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide?
N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide has a molecular weight of 271.36 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-3-[(1-methylpyrrol-3-yl)methylamino]benzamide is sourced from PubChem (CID 66399583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).