N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide

C13H17N3O2 — CID 51362589

IUPACN-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
SMILESC=CCNC(=O)CCC(=O)NCc1ccccn1
InChIInChI=1S/C13H17N3O2/c1-2-8-15-12(17)6-7-13(18)16-10-11-5-3-4-9-14-11/h2-5,9H,1,6-8,10H2,(H,15,17)(H,16,18)
InChIKeyGJKHAZWVTKFLBN-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.78
Rot. Bonds7

About N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide

N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide (PubChem CID 51362589) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide.

Molecular Properties

Compound NameN-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
PubChem CID51362589
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
SMILESC=CCNC(=O)CCC(=O)NCc1ccccn1
InChIInChI=1S/C13H17N3O2/c1-2-8-15-12(17)6-7-13(18)16-10-11-5-3-4-9-14-11/h2-5,9H,1,6-8,10H2,(H,15,17)(H,16,18)
InChIKeyGJKHAZWVTKFLBN-UHFFFAOYSA-N
XLogP0.78
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
3-[acetyl(pyridin-2-ylmethyl)amino]-N-prop-2-enylpropanamide
CID 113120148
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
N',N'-diphenyl-N-(pyridin-2-ylmethyl)butanediamide
CID 4566604
3-(2-bromophenyl)sulfanyl-N-(pyridin-2-ylmethyl)propanamide
CID 47035598
N-[(6-pyridin-2-yl-2-pyridinyl)methyl]pent-4-enamide
CID 163408106
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
CID 75480750
2-ethylsulfanyl-N-(pyridin-2-ylmethyl)acetamide
CID 19005858
3-oxo-N-prop-2-enyl-2-(pyridin-2-ylmethyl)prop-2-enamide
CID 57265204

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide?
The IUPAC name of N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide (CID 51362589) is N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide.
What is the SMILES notation for N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide?
The canonical SMILES for N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide is C=CCNC(=O)CCC(=O)NCc1ccccn1.
What is the InChIKey of N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide?
The InChIKey is GJKHAZWVTKFLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-2-8-15-12(17)6-7-13(18)16-10-11-5-3-4-9-14-11/h2-5,9H,1,6-8,10H2,(H,15,17)(H,16,18).
What are the key properties of N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide?
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide has a molecular weight of 247.30 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide is sourced from PubChem (CID 51362589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).