N-methyl-3-(pyridin-4-ylmethylamino)benzamide

C14H15N3O — CID 28650269

IUPACN-methyl-3-(pyridin-4-ylmethylamino)benzamide
SMILESCNC(=O)c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C14H15N3O/c1-15-14(18)12-3-2-4-13(9-12)17-10-11-5-7-16-8-6-11/h2-9,17H,10H2,1H3,(H,15,18)
InChIKeyIATGAQCLLUTJFS-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.05
Rot. Bonds4

About N-methyl-3-(pyridin-4-ylmethylamino)benzamide

N-methyl-3-(pyridin-4-ylmethylamino)benzamide (PubChem CID 28650269) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-methyl-3-(pyridin-4-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-methyl-3-(pyridin-4-ylmethylamino)benzamide
PubChem CID28650269
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-methyl-3-(pyridin-4-ylmethylamino)benzamide
SMILESCNC(=O)c1cccc(NCc2ccncc2)c1
InChIInChI=1S/C14H15N3O/c1-15-14(18)12-3-2-4-13(9-12)17-10-11-5-7-16-8-6-11/h2-9,17H,10H2,1H3,(H,15,18)
InChIKeyIATGAQCLLUTJFS-UHFFFAOYSA-N
XLogP2.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyridin-4-ylmethylamino)benzamide
CID 28650520
N-(2-methylpropyl)-3-(pyridin-4-ylmethylamino)benzamide
CID 17057983
3-[[4-(dimethylamino)phenyl]methylamino]-N-methylbenzamide
CID 28650216
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756566
3-[(3,4-dibromophenyl)methylamino]-N-methylbenzamide
CID 115743476
3-[(3-methoxyphenyl)methylamino]-N-methylbenzamide
CID 28650224
2-chloro-N-methyl-5-(pyridin-4-ylmethylamino)benzamide
CID 54864534
3-[(3-bromo-4-hydroxyphenyl)methylamino]-N-methylbenzamide
CID 63045684
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
N-(3-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191691
3-[(6-methoxy-3-pyridinyl)methylamino]-N-methylbenzamide
CID 114936335
3-[(3-bromo-4-chlorophenyl)methylamino]-N-methylbenzamide
CID 83235615

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(pyridin-4-ylmethylamino)benzamide?
The IUPAC name of N-methyl-3-(pyridin-4-ylmethylamino)benzamide (CID 28650269) is N-methyl-3-(pyridin-4-ylmethylamino)benzamide.
What is the SMILES notation for N-methyl-3-(pyridin-4-ylmethylamino)benzamide?
The canonical SMILES for N-methyl-3-(pyridin-4-ylmethylamino)benzamide is CNC(=O)c1cccc(NCc2ccncc2)c1.
What is the InChIKey of N-methyl-3-(pyridin-4-ylmethylamino)benzamide?
The InChIKey is IATGAQCLLUTJFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-15-14(18)12-3-2-4-13(9-12)17-10-11-5-7-16-8-6-11/h2-9,17H,10H2,1H3,(H,15,18).
What are the key properties of N-methyl-3-(pyridin-4-ylmethylamino)benzamide?
N-methyl-3-(pyridin-4-ylmethylamino)benzamide has a molecular weight of 241.29 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(pyridin-4-ylmethylamino)benzamide is sourced from PubChem (CID 28650269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).