2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine

C23H25N3O2 — CID 22724253

IUPAC2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine
SMILESCOc1ccc(-c2cccc(Nc3ncccc3N)c2)cc1OC1CCCC1
InChIInChI=1S/C23H25N3O2/c1-27-21-12-11-17(15-22(21)28-19-8-2-3-9-19)16-6-4-7-18(14-16)26-23-20(24)10-5-13-25-23/h4-7,10-15,19H,2-3,8-9,24H2,1H3,(H,25,26)
InChIKeyUOMVSAOJUSNKJV-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.40
Rot. Bonds6

About 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine

2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine (PubChem CID 22724253) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine
PubChem CID22724253
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine
SMILESCOc1ccc(-c2cccc(Nc3ncccc3N)c2)cc1OC1CCCC1
InChIInChI=1S/C23H25N3O2/c1-27-21-12-11-17(15-22(21)28-19-8-2-3-9-19)16-6-4-7-18(14-16)26-23-20(24)10-5-13-25-23/h4-7,10-15,19H,2-3,8-9,24H2,1H3,(H,25,26)
InChIKeyUOMVSAOJUSNKJV-UHFFFAOYSA-N
XLogP5.40
TPSA69.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]acetamide
CID 21472770
2-cyclopentyloxy-1-methoxy-4-(3-methoxyphenyl)benzene
CID 18778852
N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]pyridin-3-amine
CID 152616446
2-(3,4-dimethoxyphenyl)pyridin-3-amine
CID 23075532
4-(3-cyclopentyloxy-4-methoxyphenyl)-2-methylpyridin-3-ol
CID 57267140
N-(3-cyclopentyloxy-4-methoxyphenyl)pyridine-2-carboxamide
CID 18695632
2-cyclopentyloxy-1-methoxy-4-(4-nitrophenyl)benzene
CID 18778842
2-N-[3-(1H-imidazol-5-yl)phenyl]pyridine-2,3-diamine
CID 22724070
4-(3-cyclopentyloxy-4-methoxyphenyl)-5-methyl-1,3-thiazole
CID 139664304
(4R)-4-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]-2-hydroxyoxaborolane
CID 156900450
benzamide;3-cyclopentyloxy-4-methoxybenzamide
CID 18691056
6-(3-cyclopentyloxy-4-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 67669438

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine (CID 22724253) is 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine is COc1ccc(-c2cccc(Nc3ncccc3N)c2)cc1OC1CCCC1.
What is the InChIKey of 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine?
The InChIKey is UOMVSAOJUSNKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-27-21-12-11-17(15-22(21)28-19-8-2-3-9-19)16-6-4-7-18(14-16)26-23-20(24)10-5-13-25-23/h4-7,10-15,19H,2-3,8-9,24H2,1H3,(H,25,26).
What are the key properties of 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine?
2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine has a molecular weight of 375.47 g/mol, XLogP of 5.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(3-cyclopentyloxy-4-methoxyphenyl)phenyl]pyridine-2,3-diamine is sourced from PubChem (CID 22724253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).