N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine

C17H17N3 — CID 59307801

IUPACN-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine
SMILESCC(C)N(c1ccccn1)c1nccc2ccccc12
InChIInChI=1S/C17H17N3/c1-13(2)20(16-9-5-6-11-18-16)17-15-8-4-3-7-14(15)10-12-19-17/h3-13H,1-2H3
InChIKeyXYRDCLNKWDWPQX-UHFFFAOYSA-N
MW263.34 g/mol
LogP4.18
Rot. Bonds3

About N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine

N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine (PubChem CID 59307801) has the molecular formula C17H17N3 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine.

Molecular Properties

Compound NameN-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine
PubChem CID59307801
Molecular FormulaC17H17N3
Molecular Weight263.34 g/mol
Exact Mass263.14
IUPAC NameN-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine
SMILESCC(C)N(c1ccccn1)c1nccc2ccccc12
InChIInChI=1S/C17H17N3/c1-13(2)20(16-9-5-6-11-18-16)17-15-8-4-3-7-14(15)10-12-19-17/h3-13H,1-2H3
InChIKeyXYRDCLNKWDWPQX-UHFFFAOYSA-N
XLogP4.18
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine?
The IUPAC name of N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine (CID 59307801) is N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine.
What is the SMILES notation for N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine?
The canonical SMILES for N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine is CC(C)N(c1ccccn1)c1nccc2ccccc12.
What is the InChIKey of N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine?
The InChIKey is XYRDCLNKWDWPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3/c1-13(2)20(16-9-5-6-11-18-16)17-15-8-4-3-7-14(15)10-12-19-17/h3-13H,1-2H3.
What are the key properties of N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine?
N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine has a molecular weight of 263.34 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-N-pyridin-2-ylisoquinolin-1-amine is sourced from PubChem (CID 59307801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).