N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine

C17H20N4 — CID 80638274

IUPACN-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2ncc3ccccc32)c(C)c1
InChIInChI=1S/C17H20N4/c1-3-8-18-10-14-9-13(2)17(19-11-14)21-16-7-5-4-6-15(16)12-20-21/h4-7,9,11-12,18H,3,8,10H2,1-2H3
InChIKeyPJVNPATVYCSUFP-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.23
Rot. Bonds5

About N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine

N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine (PubChem CID 80638274) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine
PubChem CID80638274
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine
SMILESCCCNCc1cnc(-n2ncc3ccccc32)c(C)c1
InChIInChI=1S/C17H20N4/c1-3-8-18-10-14-9-13(2)17(19-11-14)21-16-7-5-4-6-15(16)12-20-21/h4-7,9,11-12,18H,3,8,10H2,1-2H3
InChIKeyPJVNPATVYCSUFP-UHFFFAOYSA-N
XLogP3.23
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine?
The IUPAC name of N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine (CID 80638274) is N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine.
What is the SMILES notation for N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine?
The canonical SMILES for N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine is CCCNCc1cnc(-n2ncc3ccccc32)c(C)c1.
What is the InChIKey of N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine?
The InChIKey is PJVNPATVYCSUFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-8-18-10-14-9-13(2)17(19-11-14)21-16-7-5-4-6-15(16)12-20-21/h4-7,9,11-12,18H,3,8,10H2,1-2H3.
What are the key properties of N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine?
N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine has a molecular weight of 280.38 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-indazol-1-yl-5-methyl-3-pyridinyl)methyl]propan-1-amine is sourced from PubChem (CID 80638274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).