N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide

C16H17N3O2 — CID 108947490

IUPACN'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NCc1ccccn1
InChIInChI=1S/C16H17N3O2/c1-12-6-2-3-8-14(12)19-16(21)10-15(20)18-11-13-7-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyRKZNJWZWWKBDTP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.04
Rot. Bonds5

About N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide

N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide (PubChem CID 108947490) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
PubChem CID108947490
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide
SMILESCc1ccccc1NC(=O)CC(=O)NCc1ccccn1
InChIInChI=1S/C16H17N3O2/c1-12-6-2-3-8-14(12)19-16(21)10-15(20)18-11-13-7-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21)
InChIKeyRKZNJWZWWKBDTP-UHFFFAOYSA-N
XLogP2.04
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

N'-(2-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947513
N'-(2-ethoxyphenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947531
N'-(2,5-dichlorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947580
N'-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)propanediamide
CID 108947514
N,N'-bis(2-methylphenyl)-2-[(pyridin-2-ylmethylamino)methylidene]propanediamide
CID 21236262
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
6-(2-methylanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120841
N-(2,3-dimethylphenyl)-2-pyridin-2-ylacetamide
CID 110696972
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
N-(pyridin-2-ylmethyl)-2-(2,4,6-trimethylphenyl)acetamide
CID 110767858
2-(2-methylanilino)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 15994894
4-(2-methylphenoxy)-N-(pyridin-2-ylmethyl)butanamide
CID 127115863

Frequently Asked Questions

What is the IUPAC name of N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The IUPAC name of N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide (CID 108947490) is N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide.
What is the SMILES notation for N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The canonical SMILES for N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide is Cc1ccccc1NC(=O)CC(=O)NCc1ccccn1.
What is the InChIKey of N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide?
The InChIKey is RKZNJWZWWKBDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-12-6-2-3-8-14(12)19-16(21)10-15(20)18-11-13-7-4-5-9-17-13/h2-9H,10-11H2,1H3,(H,18,20)(H,19,21).
What are the key properties of N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide?
N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide has a molecular weight of 283.33 g/mol, XLogP of 2.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylphenyl)-N-(pyridin-2-ylmethyl)propanediamide is sourced from PubChem (CID 108947490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).