N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine

C21H19N3 — CID 1497577

IUPACN-[(1-benzylindol-3-yl)methyl]pyridin-3-amine
SMILESc1ccc(Cn2cc(CNc3cccnc3)c3ccccc32)cc1
InChIInChI=1S/C21H19N3/c1-2-7-17(8-3-1)15-24-16-18(20-10-4-5-11-21(20)24)13-23-19-9-6-12-22-14-19/h1-12,14,16,23H,13,15H2
InChIKeyFXRHZHGEENHPFI-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.70
Rot. Bonds5

About N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine

N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine (PubChem CID 1497577) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[(1-benzylindol-3-yl)methyl]pyridin-3-amine
PubChem CID1497577
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC NameN-[(1-benzylindol-3-yl)methyl]pyridin-3-amine
SMILESc1ccc(Cn2cc(CNc3cccnc3)c3ccccc32)cc1
InChIInChI=1S/C21H19N3/c1-2-7-17(8-3-1)15-24-16-18(20-10-4-5-11-21(20)24)13-23-19-9-6-12-22-14-19/h1-12,14,16,23H,13,15H2
InChIKeyFXRHZHGEENHPFI-UHFFFAOYSA-N
XLogP4.70
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine?
The IUPAC name of N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine (CID 1497577) is N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine.
What is the SMILES notation for N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine?
The canonical SMILES for N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine is c1ccc(Cn2cc(CNc3cccnc3)c3ccccc32)cc1.
What is the InChIKey of N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine?
The InChIKey is FXRHZHGEENHPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c1-2-7-17(8-3-1)15-24-16-18(20-10-4-5-11-21(20)24)13-23-19-9-6-12-22-14-19/h1-12,14,16,23H,13,15H2.
What are the key properties of N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine?
N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine has a molecular weight of 313.40 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylindol-3-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 1497577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).