N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine

C17H20N4 — CID 114955473

IUPACN-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
SMILESCCn1nc(CNCc2cnccc2C)c2ccccc21
InChIInChI=1S/C17H20N4/c1-3-21-17-7-5-4-6-15(17)16(20-21)12-19-11-14-10-18-9-8-13(14)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyQESNVFBTZKUIKA-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.05
Rot. Bonds5

About N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine

N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine (PubChem CID 114955473) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
PubChem CID114955473
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC NameN-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
SMILESCCn1nc(CNCc2cnccc2C)c2ccccc21
InChIInChI=1S/C17H20N4/c1-3-21-17-7-5-4-6-15(17)16(20-21)12-19-11-14-10-18-9-8-13(14)2/h4-10,19H,3,11-12H2,1-2H3
InChIKeyQESNVFBTZKUIKA-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine with MolForge

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Related Compounds

1-(1-ethylindazol-3-yl)-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 104879569
N-[(4-methyl-3-pyridinyl)methyl]-1-(2-methylquinolin-4-yl)methanamine
CID 114954791
N-[(1-ethylindazol-3-yl)methyl]pyrazine-2-carboxamide
CID 53163992
1-(5-bromothiophen-3-yl)-N-[(1-ethylindazol-3-yl)methyl]methanamine
CID 167798955
N-[(1-ethylindazol-3-yl)methyl]-2-pyridin-3-yloxyacetamide
CID 135092372
N-[(1-ethylindazol-3-yl)methyl]-5-methoxypentan-1-amine
CID 104878924
N-[(2-methyl-1-benzofuran-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine
CID 114955011
2-chloro-N-[(1-ethylindazol-3-yl)methyl]-4,4-dimethylpentan-1-amine
CID 107155595
N-[3-[(1-ethylindazol-3-yl)methylamino]propyl]methanesulfonamide
CID 104878529
1-(2,4-dimethylphenyl)-N-[(4-methyl-3-pyridinyl)methyl]methanamine
CID 114954748
N-[(1-ethylindazol-3-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 104879613
5-[(1-ethylindazol-3-yl)methylamino]-2-methylpentan-1-ol
CID 104879529

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine?
The IUPAC name of N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine (CID 114955473) is N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine is CCn1nc(CNCc2cnccc2C)c2ccccc21.
What is the InChIKey of N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine?
The InChIKey is QESNVFBTZKUIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-3-21-17-7-5-4-6-15(17)16(20-21)12-19-11-14-10-18-9-8-13(14)2/h4-10,19H,3,11-12H2,1-2H3.
What are the key properties of N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine?
N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine has a molecular weight of 280.38 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylindazol-3-yl)methyl]-1-(4-methyl-3-pyridinyl)methanamine is sourced from PubChem (CID 114955473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).