3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide

C15H18N4O — CID 63277027

IUPAC3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide
SMILESCN(C)c1ccncc1NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H18N4O/c1-19(2)14-6-7-17-10-13(14)18-9-11-4-3-5-12(8-11)15(16)20/h3-8,10,18H,9H2,1-2H3,(H2,16,20)
InChIKeyLYMBNFFFTHRENJ-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.86
Rot. Bonds5

About 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide

3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide (PubChem CID 63277027) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide
PubChem CID63277027
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide
SMILESCN(C)c1ccncc1NCc1cccc(C(N)=O)c1
InChIInChI=1S/C15H18N4O/c1-19(2)14-6-7-17-10-13(14)18-9-11-4-3-5-12(8-11)15(16)20/h3-8,10,18H,9H2,1-2H3,(H2,16,20)
InChIKeyLYMBNFFFTHRENJ-UHFFFAOYSA-N
XLogP1.86
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-[(3-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 43678620
3-[[(5-methyl-3-pyridinyl)amino]methyl]benzamide
CID 103824002
3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 61318267
3-[(2,4-dimethylanilino)methyl]benzamide
CID 28564440
3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine
CID 66409159
5-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]-2-methoxybenzonitrile
CID 65335926
4-N,4-N-dimethyl-3-N-(2-phenylethyl)pyridine-3,4-diamine
CID 43678536
N-[4-(dimethylamino)-3-pyridinyl]benzamide
CID 63319086
3-[(2-cyanoanilino)methyl]benzamide
CID 28580909
3-[(2,4,6-trimethylanilino)methyl]benzamide
CID 63276989
3-[(4-tert-butylanilino)methyl]benzamide
CID 28572040

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide?
The IUPAC name of 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide (CID 63277027) is 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide.
What is the SMILES notation for 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide?
The canonical SMILES for 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide is CN(C)c1ccncc1NCc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide?
The InChIKey is LYMBNFFFTHRENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(2)14-6-7-17-10-13(14)18-9-11-4-3-5-12(8-11)15(16)20/h3-8,10,18H,9H2,1-2H3,(H2,16,20).
What are the key properties of 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide?
3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide has a molecular weight of 270.34 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzamide is sourced from PubChem (CID 63277027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).