N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine

C23H25N3O2 — CID 42197868

IUPACN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine
SMILESCOc1cc2c(cc1CNCc1cccnc1Oc1ccc(C)nc1)CCC2
InChIInChI=1S/C23H25N3O2/c1-16-8-9-21(15-26-16)28-23-19(7-4-10-25-23)13-24-14-20-11-17-5-3-6-18(17)12-22(20)27-2/h4,7-12,15,24H,3,5-6,13-14H2,1-2H3
InChIKeyDPTGVJJFWXWPNJ-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.36
Rot. Bonds7

About N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine

N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine (PubChem CID 42197868) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine.

Molecular Properties

Compound NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine
PubChem CID42197868
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine
SMILESCOc1cc2c(cc1CNCc1cccnc1Oc1ccc(C)nc1)CCC2
InChIInChI=1S/C23H25N3O2/c1-16-8-9-21(15-26-16)28-23-19(7-4-10-25-23)13-24-14-20-11-17-5-3-6-18(17)12-22(20)27-2/h4,7-12,15,24H,3,5-6,13-14H2,1-2H3
InChIKeyDPTGVJJFWXWPNJ-UHFFFAOYSA-N
XLogP4.36
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine with MolForge

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Related Compounds

[3-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618142
[4-(7-Piperidin-4-yloxyisoquinolin-6-yl)phenyl]methanamine
CID 42618143
6-Phenyl-7-(piperidin-4-yloxy)isoquinoline
CID 42618144
6-Phenyl-7-piperidin-3-yloxyisoquinoline
CID 42618153
6-Phenyl-7-(piperidin-3-ylmethoxy)isoquinoline
CID 42618154
[3-(5-Methoxy-naphthalen-1-yl)-propyl]-[2-(pyridin-2-yloxy)-ethyl]-amine
CID 11782656
(2S)-2-[(S)-(5-methyl-2-propan-2-ylphenoxy)-pyridin-2-ylmethyl]morpholine
CID 44579374
7-[5-methoxy-2-[(4-methyl-2-pyridinyl)methoxy]phenyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 70665128
7-[6-methyl-3-[(4-methyl-2-pyridinyl)methoxy]-2-pyridinyl]-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 70665321
4-[(4-methyl-2-pyridinyl)methoxy]-3-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)benzonitrile
CID 70665393
2-((2,3-Dihydro-7-methyl-1H-inden-4-yl)oxy)-3-pyridinamine
CID 2775022
2-[3-Methoxy-4-(pyridin-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 73755219

Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine?
The IUPAC name of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine (CID 42197868) is N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine.
What is the SMILES notation for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine?
The canonical SMILES for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine is COc1cc2c(cc1CNCc1cccnc1Oc1ccc(C)nc1)CCC2.
What is the InChIKey of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine?
The InChIKey is DPTGVJJFWXWPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-16-8-9-21(15-26-16)28-23-19(7-4-10-25-23)13-24-14-20-11-17-5-3-6-18(17)12-22(20)27-2/h4,7-12,15,24H,3,5-6,13-14H2,1-2H3.
What are the key properties of N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine?
N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine has a molecular weight of 375.47 g/mol, XLogP of 4.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxy-2,3-dihydro-1H-inden-5-yl)methyl]-1-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanamine is sourced from PubChem (CID 42197868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).