4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine

C19H19N5 — CID 134439563

IUPAC4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine
SMILESCc1cccc(-c2nc3n(c2-c2ccnc(N)c2)C2CCC3C2)n1
InChIInChI=1S/C19H19N5/c1-11-3-2-4-15(22-11)17-18(12-7-8-21-16(20)10-12)24-14-6-5-13(9-14)19(24)23-17/h2-4,7-8,10,13-14H,5-6,9H2,1H3,(H2,20,21)
InChIKeyXLIFVQWVUKTORJ-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.72
Rot. Bonds2

About 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine

4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine (PubChem CID 134439563) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine
PubChem CID134439563
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine
SMILESCc1cccc(-c2nc3n(c2-c2ccnc(N)c2)C2CCC3C2)n1
InChIInChI=1S/C19H19N5/c1-11-3-2-4-15(22-11)17-18(12-7-8-21-16(20)10-12)24-14-6-5-13(9-14)19(24)23-17/h2-4,7-8,10,13-14H,5-6,9H2,1H3,(H2,20,21)
InChIKeyXLIFVQWVUKTORJ-UHFFFAOYSA-N
XLogP3.72
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine 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 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine?
The IUPAC name of 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine (CID 134439563) is 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine is Cc1cccc(-c2nc3n(c2-c2ccnc(N)c2)C2CCC3C2)n1.
What is the InChIKey of 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine?
The InChIKey is XLIFVQWVUKTORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-11-3-2-4-15(22-11)17-18(12-7-8-21-16(20)10-12)24-14-6-5-13(9-14)19(24)23-17/h2-4,7-8,10,13-14H,5-6,9H2,1H3,(H2,20,21).
What are the key properties of 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine?
4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine has a molecular weight of 317.40 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-methyl-2-pyridinyl)-2,5-diazatricyclo[5.2.1.02,6]deca-3,5-dien-3-yl]pyridin-2-amine is sourced from PubChem (CID 134439563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).