N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide

C12H17N3O2 — CID 108940811

IUPACN'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)NC(=O)CC(=O)NCc1ccncc1
InChIInChI=1S/C12H17N3O2/c1-9(2)15-12(17)7-11(16)14-8-10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyOGUAWSKTWXVURP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.61
Rot. Bonds5

About N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide

N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide (PubChem CID 108940811) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide.

Molecular Properties

Compound NameN'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
PubChem CID108940811
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide
SMILESCC(C)NC(=O)CC(=O)NCc1ccncc1
InChIInChI=1S/C12H17N3O2/c1-9(2)15-12(17)7-11(16)14-8-10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyOGUAWSKTWXVURP-UHFFFAOYSA-N
XLogP0.61
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.61
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-[(4-methoxyphenyl)methyl]-N'-propan-2-ylpropanediamide
CID 108940806
2-iodo-N-(pyridin-4-ylmethyl)acetamide
CID 138478172
N'-(4-acetamidophenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947860
5-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 82683717
3,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide
CID 4634724
N'-(pyridin-2-ylmethyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947438
3-(3-methylbutylamino)-N-(pyridin-4-ylmethyl)propanamide
CID 109023814
2-(4-propan-2-ylsulfanylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771391
N'-(4-acetylphenyl)-N-(pyridin-4-ylmethyl)propanediamide
CID 108947858
2-(4-propan-2-ylsulfonylphenyl)-N-(pyridin-4-ylmethyl)acetamide
CID 110771435
3-methyl-5-oxo-5-(pyridin-4-ylmethylcarbamoylamino)pentanoic acid
CID 62964312
ethane;pyridin-4-ylmethylurea
CID 144877282

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide?
The IUPAC name of N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide (CID 108940811) is N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide.
What is the SMILES notation for N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide?
The canonical SMILES for N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide is CC(C)NC(=O)CC(=O)NCc1ccncc1.
What is the InChIKey of N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide?
The InChIKey is OGUAWSKTWXVURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-9(2)15-12(17)7-11(16)14-8-10-3-5-13-6-4-10/h3-6,9H,7-8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide?
N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide has a molecular weight of 235.29 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-(pyridin-4-ylmethyl)propanediamide is sourced from PubChem (CID 108940811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).