3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide

C15H17N3O — CID 20820016

IUPAC3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNc2ccccn2)c1
InChIInChI=1S/C15H17N3O/c1-12-5-4-6-13(11-12)15(19)18-10-9-17-14-7-2-3-8-16-14/h2-8,11H,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyRNWYWFOJISTRCR-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.23
Rot. Bonds5

About 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide

3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide (PubChem CID 20820016) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide
PubChem CID20820016
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide
SMILESCc1cccc(C(=O)NCCNc2ccccn2)c1
InChIInChI=1S/C15H17N3O/c1-12-5-4-6-13(11-12)15(19)18-10-9-17-14-7-2-3-8-16-14/h2-8,11H,9-10H2,1H3,(H,16,17)(H,18,19)
InChIKeyRNWYWFOJISTRCR-UHFFFAOYSA-N
XLogP2.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-N-[2-[[6-(pyridin-2-ylamino)pyridazin-3-yl]amino]ethyl]benzamide
CID 121064834
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]benzamide
CID 121064497
3-methyl-N-(2-pyridin-2-ylpropyl)benzamide
CID 91333168
N-[2-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]ethyl]quinoxaline-6-carboxamide
CID 122314374
tert-butyl N-[2-[(3-methylbenzoyl)amino]ethyl]carbamate
CID 71248417
N-[2-(3H-isoindol-1-ylamino)ethyl]-3-methylbenzamide
CID 58727122
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
3-methyl-N-[2-[[N-methyl-C-(4-pyridin-2-ylpiperazin-1-yl)carbonimidoyl]amino]ethyl]benzamide
CID 111220169
N-[2-[[(2S)-2-hydroxy-2-phenylacetyl]amino]ethyl]-3-methylbenzamide
CID 95904798
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
3-methyl-N-(3-pyrazol-1-ylpropyl)benzamide
CID 19332230
N-[2-[[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]amino]ethyl]pyridine-2-carboxamide
CID 122288531

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide?
The IUPAC name of 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide (CID 20820016) is 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide.
What is the SMILES notation for 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide?
The canonical SMILES for 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide is Cc1cccc(C(=O)NCCNc2ccccn2)c1.
What is the InChIKey of 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide?
The InChIKey is RNWYWFOJISTRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-12-5-4-6-13(11-12)15(19)18-10-9-17-14-7-2-3-8-16-14/h2-8,11H,9-10H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide?
3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide has a molecular weight of 255.32 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(pyridin-2-ylamino)ethyl]benzamide is sourced from PubChem (CID 20820016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).