(Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide

C12H15N3O — CID 174254808

IUPAC(Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide
SMILESC=N/C(=C\C)C(=O)NCCc1ccccn1
InChIInChI=1S/C12H15N3O/c1-3-11(13-2)12(16)15-9-7-10-6-4-5-8-14-10/h3-6,8H,2,7,9H2,1H3,(H,15,16)/b11-3-
InChIKeyBACKVMQUXRTWFZ-JYOAFUTRSA-N
MW217.27 g/mol
LogP1.34
Rot. Bonds5

About (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide

(Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide (PubChem CID 174254808) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide.

Molecular Properties

Compound Name(Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide
PubChem CID174254808
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name(Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide
SMILESC=N/C(=C\C)C(=O)NCCc1ccccn1
InChIInChI=1S/C12H15N3O/c1-3-11(13-2)12(16)15-9-7-10-6-4-5-8-14-10/h3-6,8H,2,7,9H2,1H3,(H,15,16)/b11-3-
InChIKeyBACKVMQUXRTWFZ-JYOAFUTRSA-N
XLogP1.34
TPSA54.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3,3-dimethyl-2-oxo-N-(2-pyridin-2-ylethyl)pentanamide
CID 126840803
N'-benzyl-N-(2-pyridin-2-ylethyl)oxamide;ethane
CID 90877538
ethane;2-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 142112887
2-pyridin-2-ylethylcarbamothioic S-acid
CID 87074091
2-chloro-N-(2-pyridin-2-ylethyl)propanamide
CID 24692533
1-(propan-2-ylideneamino)-3-(2-pyridin-2-ylethyl)urea
CID 48544874
N'-[(1R,2S)-2-methylcyclohexyl]-N-(2-pyridin-2-ylethyl)oxamide
CID 125145010
2-methyl-3-oxo-3-(2-pyridin-2-ylethylamino)propanoic acid
CID 114897299
1,1-diethyl-3-(2-pyridin-2-ylethyl)urea
CID 115583070
1-[(2-methylpropan-2-yl)oxy]-3-(2-pyridin-2-ylethyl)urea
CID 91316949
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
2-amino-3-methyl-N-(2-pyridin-2-ylethyl)butanamide
CID 24698631

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide?
The IUPAC name of (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide (CID 174254808) is (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide.
What is the SMILES notation for (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide?
The canonical SMILES for (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide is C=N/C(=C\C)C(=O)NCCc1ccccn1.
What is the InChIKey of (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide?
The InChIKey is BACKVMQUXRTWFZ-JYOAFUTRSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-11(13-2)12(16)15-9-7-10-6-4-5-8-14-10/h3-6,8H,2,7,9H2,1H3,(H,15,16)/b11-3-.
What are the key properties of (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide?
(Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide has a molecular weight of 217.27 g/mol, XLogP of 1.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(methylideneamino)-N-(2-pyridin-2-ylethyl)but-2-enamide is sourced from PubChem (CID 174254808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).