N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine

C20H16ClN3 — CID 71457573

IUPACN-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine
SMILESClc1ccccc1C(Nc1ccccn1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H16ClN3/c21-17-9-3-1-8-15(17)20(24-19-11-5-6-12-22-19)16-13-23-18-10-4-2-7-14(16)18/h1-13,20,23H,(H,22,24)
InChIKeyWGIXXRLFTXGPFI-UHFFFAOYSA-N
MW333.82 g/mol
LogP5.42
Rot. Bonds4

About N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine

N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine (PubChem CID 71457573) has the molecular formula C20H16ClN3 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine
PubChem CID71457573
Molecular FormulaC20H16ClN3
Molecular Weight333.82 g/mol
Exact Mass333.10
IUPAC NameN-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine
SMILESClc1ccccc1C(Nc1ccccn1)c1c[nH]c2ccccc12
InChIInChI=1S/C20H16ClN3/c21-17-9-3-1-8-15(17)20(24-19-11-5-6-12-22-19)16-13-23-18-10-4-2-7-14(16)18/h1-13,20,23H,(H,22,24)
InChIKeyWGIXXRLFTXGPFI-UHFFFAOYSA-N
XLogP5.42
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.82
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine?
The IUPAC name of N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine (CID 71457573) is N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine is Clc1ccccc1C(Nc1ccccn1)c1c[nH]c2ccccc12.
What is the InChIKey of N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine?
The InChIKey is WGIXXRLFTXGPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN3/c21-17-9-3-1-8-15(17)20(24-19-11-5-6-12-22-19)16-13-23-18-10-4-2-7-14(16)18/h1-13,20,23H,(H,22,24).
What are the key properties of N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine?
N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine has a molecular weight of 333.82 g/mol, XLogP of 5.42, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)-(1H-indol-3-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 71457573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).