N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide

C11H15N3O — CID 108992941

IUPACN-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide
SMILESC=CCNC(=O)CNCc1ccncc1
InChIInChI=1S/C11H15N3O/c1-2-5-14-11(15)9-13-8-10-3-6-12-7-4-10/h2-4,6-7,13H,1,5,8-9H2,(H,14,15)
InChIKeyKMLTUADWHLOXPQ-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.47
Rot. Bonds6

About N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide

N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide (PubChem CID 108992941) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide.

Molecular Properties

Compound NameN-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide
PubChem CID108992941
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC NameN-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide
SMILESC=CCNC(=O)CNCc1ccncc1
InChIInChI=1S/C11H15N3O/c1-2-5-14-11(15)9-13-8-10-3-6-12-7-4-10/h2-4,6-7,13H,1,5,8-9H2,(H,14,15)
InChIKeyKMLTUADWHLOXPQ-UHFFFAOYSA-N
XLogP0.47
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.47
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

2-(benzylamino)-N-prop-2-enylacetamide
CID 11160015
2-[(4-bromophenyl)methylamino]-N-prop-2-enylacetamide
CID 115919828
N-prop-2-enyl-3-pyridin-4-ylpropanamide
CID 110468372
2-[(6-chloro-3-pyridinyl)methylamino]-N-prop-2-enylacetamide
CID 115919826
2-[(4-methylphenyl)methylamino]-N-(pyridin-4-ylmethyl)acetamide
CID 108997033
N-(4-fluorophenyl)-2-(pyridin-4-ylmethylamino)acetamide
CID 17066841
N-[(4-chlorophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 78908309
N-[(4-bromophenyl)methyl]-2-(prop-2-enylamino)acetamide
CID 79285936
2-oxo-N-(pyridin-4-ylmethyl)acetamide
CID 88952293
N-prop-2-enyl-4-(pyridin-4-ylmethylsulfamoyl)benzamide
CID 109058441
2-(1,3-benzodioxol-5-ylmethylamino)-N-(pyridin-4-ylmethyl)acetamide
CID 108998669
(Z)-3-methyl-4-(pyridin-4-ylmethylamino)but-2-enoic acid
CID 103236238

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide?
The IUPAC name of N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide (CID 108992941) is N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide.
What is the SMILES notation for N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide?
The canonical SMILES for N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide is C=CCNC(=O)CNCc1ccncc1.
What is the InChIKey of N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide?
The InChIKey is KMLTUADWHLOXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-2-5-14-11(15)9-13-8-10-3-6-12-7-4-10/h2-4,6-7,13H,1,5,8-9H2,(H,14,15).
What are the key properties of N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide?
N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide has a molecular weight of 205.26 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-(pyridin-4-ylmethylamino)acetamide is sourced from PubChem (CID 108992941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).