[6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone

C22H22N2O2 — CID 155386938

IUPAC[6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone
SMILESCc1c(CO)cccc1-c1cccc(C(=O)c2cccc(CN)n2)c1C
InChIInChI=1S/C22H22N2O2/c1-14-16(13-25)6-3-8-18(14)19-9-5-10-20(15(19)2)22(26)21-11-4-7-17(12-23)24-21/h3-11,25H,12-13,23H2,1-2H3
InChIKeyYUNADAYZQQCLDU-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.55
Rot. Bonds5

About [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone

[6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone (PubChem CID 155386938) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone.

Molecular Properties

Compound Name[6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone
PubChem CID155386938
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name[6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone
SMILESCc1c(CO)cccc1-c1cccc(C(=O)c2cccc(CN)n2)c1C
InChIInChI=1S/C22H22N2O2/c1-14-16(13-25)6-3-8-18(14)19-9-5-10-20(15(19)2)22(26)21-11-4-7-17(12-23)24-21/h3-11,25H,12-13,23H2,1-2H3
InChIKeyYUNADAYZQQCLDU-UHFFFAOYSA-N
XLogP3.55
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone?
The IUPAC name of [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone (CID 155386938) is [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone.
What is the SMILES notation for [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone?
The canonical SMILES for [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone is Cc1c(CO)cccc1-c1cccc(C(=O)c2cccc(CN)n2)c1C.
What is the InChIKey of [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone?
The InChIKey is YUNADAYZQQCLDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-14-16(13-25)6-3-8-18(14)19-9-5-10-20(15(19)2)22(26)21-11-4-7-17(12-23)24-21/h3-11,25H,12-13,23H2,1-2H3.
What are the key properties of [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone?
[6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone has a molecular weight of 346.43 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(aminomethyl)-2-pyridinyl]-[3-[3-(hydroxymethyl)-2-methylphenyl]-2-methylphenyl]methanone is sourced from PubChem (CID 155386938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).