4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine

C21H20N4 — CID 1404025

IUPAC4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine
SMILESCc1ccnc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C21H20N4/c1-14-7-12-23-19(13-14)25-21(16-8-10-22-11-9-16)20-15(2)24-18-6-4-3-5-17(18)20/h3-13,21,24H,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyLSUCIMJIEGWCQS-NRFANRHFSA-N
MW328.42 g/mol
LogP4.78
Rot. Bonds4

About 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine

4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine (PubChem CID 1404025) has the molecular formula C21H20N4 and a molecular weight of 328.42 g/mol. Its IUPAC name is 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine
PubChem CID1404025
Molecular FormulaC21H20N4
Molecular Weight328.42 g/mol
Exact Mass328.17
IUPAC Name4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine
SMILESCc1ccnc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c1
InChIInChI=1S/C21H20N4/c1-14-7-12-23-19(13-14)25-21(16-8-10-22-11-9-16)20-15(2)24-18-6-4-3-5-17(18)20/h3-13,21,24H,1-2H3,(H,23,25)/t21-/m0/s1
InChIKeyLSUCIMJIEGWCQS-NRFANRHFSA-N
XLogP4.78
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine?
The IUPAC name of 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine (CID 1404025) is 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine is Cc1ccnc(N[C@@H](c2ccncc2)c2c(C)[nH]c3ccccc23)c1.
What is the InChIKey of 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine?
The InChIKey is LSUCIMJIEGWCQS-NRFANRHFSA-N. The full InChI is InChI=1S/C21H20N4/c1-14-7-12-23-19(13-14)25-21(16-8-10-22-11-9-16)20-15(2)24-18-6-4-3-5-17(18)20/h3-13,21,24H,1-2H3,(H,23,25)/t21-/m0/s1.
What are the key properties of 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine?
4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine has a molecular weight of 328.42 g/mol, XLogP of 4.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(S)-(2-methyl-1H-indol-3-yl)-pyridin-4-ylmethyl]pyridin-2-amine is sourced from PubChem (CID 1404025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).