N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine

C13H13N3 — CID 14365054

IUPACN-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine
SMILESC=CCN(c1ccccn1)c1ccccn1
InChIInChI=1S/C13H13N3/c1-2-11-16(12-7-3-5-9-14-12)13-8-4-6-10-15-13/h2-10H,1,11H2
InChIKeyHNTUBTNVSFWSFB-UHFFFAOYSA-N
MW211.27 g/mol
LogP2.80
Rot. Bonds4

About N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine

N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine (PubChem CID 14365054) has the molecular formula C13H13N3 and a molecular weight of 211.27 g/mol. Its IUPAC name is N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound NameN-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine
PubChem CID14365054
Molecular FormulaC13H13N3
Molecular Weight211.27 g/mol
Exact Mass211.11
IUPAC NameN-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine
SMILESC=CCN(c1ccccn1)c1ccccn1
InChIInChI=1S/C13H13N3/c1-2-11-16(12-7-3-5-9-14-12)13-8-4-6-10-15-13/h2-10H,1,11H2
InChIKeyHNTUBTNVSFWSFB-UHFFFAOYSA-N
XLogP2.80
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.27
LogP ≤ 52.80
H-Bond Donors ≤ 50
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 N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine (CID 14365054) is N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine is C=CCN(c1ccccn1)c1ccccn1.
What is the InChIKey of N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is HNTUBTNVSFWSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3/c1-2-11-16(12-7-3-5-9-14-12)13-8-4-6-10-15-13/h2-10H,1,11H2.
What are the key properties of N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine?
N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 211.27 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 14365054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).