4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine

C13H15N3 — CID 130369699

IUPAC4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
SMILESCC(C)c1ccnc(Nc2ccccn2)c1
InChIInChI=1S/C13H15N3/c1-10(2)11-6-8-15-13(9-11)16-12-5-3-4-7-14-12/h3-10H,1-2H3,(H,14,15,16)
InChIKeyDJTHBIWTCTVCBL-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.34
Rot. Bonds3

About 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine

4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine (PubChem CID 130369699) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine.

Molecular Properties

Compound Name4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
PubChem CID130369699
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine
SMILESCC(C)c1ccnc(Nc2ccccn2)c1
InChIInChI=1S/C13H15N3/c1-10(2)11-6-8-15-13(9-11)16-12-5-3-4-7-14-12/h3-10H,1-2H3,(H,14,15,16)
InChIKeyDJTHBIWTCTVCBL-UHFFFAOYSA-N
XLogP3.34
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine?
The IUPAC name of 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine (CID 130369699) is 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine.
What is the SMILES notation for 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine?
The canonical SMILES for 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine is CC(C)c1ccnc(Nc2ccccn2)c1.
What is the InChIKey of 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine?
The InChIKey is DJTHBIWTCTVCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-10(2)11-6-8-15-13(9-11)16-12-5-3-4-7-14-12/h3-10H,1-2H3,(H,14,15,16).
What are the key properties of 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine?
4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine has a molecular weight of 213.28 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-pyridin-2-ylpyridin-2-amine is sourced from PubChem (CID 130369699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).