(E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide

C14H18N6O — CID 166312666

IUPAC(E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide
SMILESCCC(C)(NC(=O)/C=C/c1cncc(C)c1)c1nn[nH]n1
InChIInChI=1S/C14H18N6O/c1-4-14(3,13-17-19-20-18-13)16-12(21)6-5-11-7-10(2)8-15-9-11/h5-9H,4H2,1-3H3,(H,16,21)(H,17,18,19,20)/b6-5+
InChIKeyHSFVBOVKBGMBJY-AATRIKPKSA-N
MW286.34 g/mol
LogP1.36
Rot. Bonds5

About (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide

(E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide (PubChem CID 166312666) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide
PubChem CID166312666
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Name(E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide
SMILESCCC(C)(NC(=O)/C=C/c1cncc(C)c1)c1nn[nH]n1
InChIInChI=1S/C14H18N6O/c1-4-14(3,13-17-19-20-18-13)16-12(21)6-5-11-7-10(2)8-15-9-11/h5-9H,4H2,1-3H3,(H,16,21)(H,17,18,19,20)/b6-5+
InChIKeyHSFVBOVKBGMBJY-AATRIKPKSA-N
XLogP1.36
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide?
The IUPAC name of (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide (CID 166312666) is (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide.
What is the SMILES notation for (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide?
The canonical SMILES for (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide is CCC(C)(NC(=O)/C=C/c1cncc(C)c1)c1nn[nH]n1.
What is the InChIKey of (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide?
The InChIKey is HSFVBOVKBGMBJY-AATRIKPKSA-N. The full InChI is InChI=1S/C14H18N6O/c1-4-14(3,13-17-19-20-18-13)16-12(21)6-5-11-7-10(2)8-15-9-11/h5-9H,4H2,1-3H3,(H,16,21)(H,17,18,19,20)/b6-5+.
What are the key properties of (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide?
(E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide has a molecular weight of 286.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-methyl-3-pyridinyl)-N-[2-(2H-tetrazol-5-yl)butan-2-yl]prop-2-enamide is sourced from PubChem (CID 166312666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).