N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide

C12H17N3O — CID 142047983

IUPACN-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide
SMILESC=CN(/C=C\N)C(=O)C(C)C1C=CN=CC1
InChIInChI=1S/C12H17N3O/c1-3-15(9-6-13)12(16)10(2)11-4-7-14-8-5-11/h3-4,6-11H,1,5,13H2,2H3/b9-6-
InChIKeyKVCWLYHGFDDHGJ-TWGQIWQCSA-N
MW219.29 g/mol
LogP1.63
Rot. Bonds4

About N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide

N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide (PubChem CID 142047983) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide.

Molecular Properties

Compound NameN-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide
PubChem CID142047983
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC NameN-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide
SMILESC=CN(/C=C\N)C(=O)C(C)C1C=CN=CC1
InChIInChI=1S/C12H17N3O/c1-3-15(9-6-13)12(16)10(2)11-4-7-14-8-5-11/h3-4,6-11H,1,5,13H2,2H3/b9-6-
InChIKeyKVCWLYHGFDDHGJ-TWGQIWQCSA-N
XLogP1.63
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide?
The IUPAC name of N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide (CID 142047983) is N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide.
What is the SMILES notation for N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide?
The canonical SMILES for N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide is C=CN(/C=C\N)C(=O)C(C)C1C=CN=CC1.
What is the InChIKey of N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide?
The InChIKey is KVCWLYHGFDDHGJ-TWGQIWQCSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-15(9-6-13)12(16)10(2)11-4-7-14-8-5-11/h3-4,6-11H,1,5,13H2,2H3/b9-6-.
What are the key properties of N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide?
N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide has a molecular weight of 219.29 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-aminoethenyl]-2-(3,4-dihydropyridin-4-yl)-N-ethenylpropanamide is sourced from PubChem (CID 142047983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).