N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine

C15H16N4 — CID 103126250

IUPACN-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
SMILESCNC(c1cccnc1)c1nn(C)c2ccccc12
InChIInChI=1S/C15H16N4/c1-16-14(11-6-5-9-17-10-11)15-12-7-3-4-8-13(12)19(2)18-15/h3-10,14,16H,1-2H3
InChIKeyDOCAETIESDHQFK-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.28
Rot. Bonds3

About N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine

N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine (PubChem CID 103126250) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
PubChem CID103126250
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine
SMILESCNC(c1cccnc1)c1nn(C)c2ccccc12
InChIInChI=1S/C15H16N4/c1-16-14(11-6-5-9-17-10-11)15-12-7-3-4-8-13(12)19(2)18-15/h3-10,14,16H,1-2H3
InChIKeyDOCAETIESDHQFK-UHFFFAOYSA-N
XLogP2.28
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine?
The IUPAC name of N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine (CID 103126250) is N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine is CNC(c1cccnc1)c1nn(C)c2ccccc12.
What is the InChIKey of N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine?
The InChIKey is DOCAETIESDHQFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-16-14(11-6-5-9-17-10-11)15-12-7-3-4-8-13(12)19(2)18-15/h3-10,14,16H,1-2H3.
What are the key properties of N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine?
N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine has a molecular weight of 252.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-methylindazol-3-yl)-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 103126250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).