(5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine

C14H15N3 — CID 155052883

IUPAC(5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine
SMILESC=CC/C=c1/ccc(N)n/c1=C1/CC=CC=N1
InChIInChI=1S/C14H15N3/c1-2-3-6-11-8-9-13(15)17-14(11)12-7-4-5-10-16-12/h2,4-6,8-10H,1,3,7H2,(H2,15,17)/b11-6-,14-12-
InChIKeyPCHAWORQVOVYRG-ZKCBKFBFSA-N
MW225.29 g/mol
LogP1.16
Rot. Bonds2

About (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine

(5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine (PubChem CID 155052883) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine.

Molecular Properties

Compound Name(5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine
PubChem CID155052883
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name(5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine
SMILESC=CC/C=c1/ccc(N)n/c1=C1/CC=CC=N1
InChIInChI=1S/C14H15N3/c1-2-3-6-11-8-9-13(15)17-14(11)12-7-4-5-10-16-12/h2,4-6,8-10H,1,3,7H2,(H2,15,17)/b11-6-,14-12-
InChIKeyPCHAWORQVOVYRG-ZKCBKFBFSA-N
XLogP1.16
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine?
The IUPAC name of (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine (CID 155052883) is (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine.
What is the SMILES notation for (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine?
The canonical SMILES for (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine is C=CC/C=c1/ccc(N)n/c1=C1/CC=CC=N1.
What is the InChIKey of (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine?
The InChIKey is PCHAWORQVOVYRG-ZKCBKFBFSA-N. The full InChI is InChI=1S/C14H15N3/c1-2-3-6-11-8-9-13(15)17-14(11)12-7-4-5-10-16-12/h2,4-6,8-10H,1,3,7H2,(H2,15,17)/b11-6-,14-12-.
What are the key properties of (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine?
(5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine has a molecular weight of 225.29 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z)-5-but-3-enylidene-6-(3H-pyridin-2-ylidene)pyridin-2-amine is sourced from PubChem (CID 155052883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).