5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine

C23H26N4O — CID 161439040

IUPAC5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine
SMILESCN1CCC(c2ccc(-c3cnc(N)c(OCc4ccccc4)c3)nc2)CC1
InChIInChI=1S/C23H26N4O/c1-27-11-9-18(10-12-27)19-7-8-21(25-14-19)20-13-22(23(24)26-15-20)28-16-17-5-3-2-4-6-17/h2-8,13-15,18H,9-12,16H2,1H3,(H2,24,26)
InChIKeyVLXJYYAMLGMDFU-UHFFFAOYSA-N
MW374.49 g/mol
LogP4.11
Rot. Bonds5

About 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine

5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine (PubChem CID 161439040) has the molecular formula C23H26N4O and a molecular weight of 374.49 g/mol. Its IUPAC name is 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine.

Molecular Properties

Compound Name5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine
PubChem CID161439040
Molecular FormulaC23H26N4O
Molecular Weight374.49 g/mol
Exact Mass374.21
IUPAC Name5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine
SMILESCN1CCC(c2ccc(-c3cnc(N)c(OCc4ccccc4)c3)nc2)CC1
InChIInChI=1S/C23H26N4O/c1-27-11-9-18(10-12-27)19-7-8-21(25-14-19)20-13-22(23(24)26-15-20)28-16-17-5-3-2-4-6-17/h2-8,13-15,18H,9-12,16H2,1H3,(H2,24,26)
InChIKeyVLXJYYAMLGMDFU-UHFFFAOYSA-N
XLogP4.11
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_OC_no_alk_C(3)', 'substructure': 'N/A'}

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Related Compounds

3-phenylmethoxy-5-pyridin-2-ylpyridin-2-amine
CID 21110977
5-[2-(oxan-4-yl)-1,3-thiazol-5-yl]-3-phenylmethoxypyridin-2-amine
CID 158487748
4-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]-1,1-difluoro-2-methylbut-3-yn-2-ol
CID 166728427
5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-[[3-(4,4,4-trifluoro-3-methoxy-3-methylbut-1-ynyl)phenyl]methoxy]pyridin-2-amine
CID 170056665
2-[2-[3-[[2-amino-5-[2-(1-methylpiperidin-4-yl)-1,3-thiazol-5-yl]-3-pyridinyl]oxymethyl]phenyl]ethynyl]-2-hydroxycyclopentan-1-one
CID 158487752
2-(6-amino-5-phenylmethoxy-3-pyridinyl)-N-ethylspiro[5,6-dihydropyrrolo[2,1-e]pyrazole-4,3'-pyrrolidine]-1'-carboxamide
CID 164859463
3-[(2-chlorophenyl)methoxy]-5-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyridin-2-amine
CID 174502020
4-[3-[[2-amino-5-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]-2-cyclopentylbut-3-yn-2-ol
CID 170445197
4-cyclopropyl-2-phenylmethoxybenzoic acid
CID 162369981
4-[3-[[2-amino-5-[1-(1-methylpyrrolidin-3-yl)pyrazol-4-yl]-3-pyridinyl]oxymethyl]phenyl]-2-methylbut-3-yn-2-ol
CID 170445248
[4-[[2-amino-5-[4-(3,5-dimethylpiperazine-1-carbonyl)phenyl]-3-pyridinyl]oxymethyl]phenyl]-(4-benzylpiperazin-1-yl)methanone
CID 58886211
3-fluoro-5-(2-phenylmethoxyphenyl)pyridin-2-amine
CID 175669945

Frequently Asked Questions

What is the IUPAC name of 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?
The IUPAC name of 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine (CID 161439040) is 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine.
What is the SMILES notation for 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?
The canonical SMILES for 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine is CN1CCC(c2ccc(-c3cnc(N)c(OCc4ccccc4)c3)nc2)CC1.
What is the InChIKey of 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?
The InChIKey is VLXJYYAMLGMDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O/c1-27-11-9-18(10-12-27)19-7-8-21(25-14-19)20-13-22(23(24)26-15-20)28-16-17-5-3-2-4-6-17/h2-8,13-15,18H,9-12,16H2,1H3,(H2,24,26).
What are the key properties of 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine?
5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine has a molecular weight of 374.49 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-3-phenylmethoxypyridin-2-amine is sourced from PubChem (CID 161439040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).