CID 123584334

C20H17B2N3O — CID 123584334

IUPAC—
SMILES[B]c1ccc2c(c1)c1cc([B])ccc1n2CC(O)CNc1ccccn1
InChIInChI=1S/C20H17B2N3O/c21-13-4-6-18-16(9-13)17-10-14(22)5-7-19(17)25(18)12-15(26)11-24-20-3-1-2-8-23-20/h1-10,15,26H,11-12H2,(H,23,24)
InChIKeySLTXWLDVEBGLNW-UHFFFAOYSA-N
MW337.00 g/mol
LogP1.25
Rot. Bonds5

About CID 123584334

CID 123584334 (PubChem CID 123584334) has the molecular formula C20H17B2N3O and a molecular weight of 337.00 g/mol.

Molecular Properties

Compound NameCID 123584334
PubChem CID123584334
Molecular FormulaC20H17B2N3O
Molecular Weight337.00 g/mol
Exact Mass337.16
IUPAC Name—
SMILES[B]c1ccc2c(c1)c1cc([B])ccc1n2CC(O)CNc1ccccn1
InChIInChI=1S/C20H17B2N3O/c21-13-4-6-18-16(9-13)17-10-14(22)5-7-19(17)25(18)12-15(26)11-24-20-3-1-2-8-23-20/h1-10,15,26H,11-12H2,(H,23,24)
InChIKeySLTXWLDVEBGLNW-UHFFFAOYSA-N
XLogP1.25
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.00
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-carbazol-9-yl-3-(pyridin-2-ylamino)propan-2-ol
CID 134161940
1-(3,6-dibromocarbazol-9-yl)-3-[(6-methoxy-2-pyridinyl)amino]propan-2-ol
CID 71254089
(2S)-1-carbazol-9-yl-3-(2,4,6-trimethylanilino)propan-2-ol
CID 7721479
methyl 4-hydroxy-5-(pyridin-2-ylamino)pentanoate
CID 115123515
1-(3,6-dibromocarbazol-9-yl)-3-[(2,6-dichloropyrimidin-4-yl)amino]propan-2-ol
CID 134155682
(2R)-1-butoxy-3-(pyridin-2-ylamino)propan-2-ol
CID 638982
(2R)-1-N-pyridin-2-ylpropane-1,2-diamine
CID 71346823
(2R)-1-carbazol-9-yl-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7411148
(2S)-1-(4-phenylphenoxy)-3-(pyridin-2-ylamino)propan-2-ol
CID 51567729
(2S)-1-(3,6-dichlorocarbazol-9-yl)-3-(3-methylanilino)propan-2-ol
CID 981425
N-(2-methylidenebutyl)pyridin-2-amine
CID 131093254
3-[(3-carbazol-9-yl-2-hydroxypropyl)amino]-2,3-dimethylbutan-2-ol
CID 154741332

Frequently Asked Questions

What is the IUPAC name of CID 123584334?
The IUPAC name of CID 123584334 (CID 123584334) is not available.
What is the SMILES notation for CID 123584334?
The canonical SMILES for CID 123584334 is [B]c1ccc2c(c1)c1cc([B])ccc1n2CC(O)CNc1ccccn1.
What is the InChIKey of CID 123584334?
The InChIKey is SLTXWLDVEBGLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17B2N3O/c21-13-4-6-18-16(9-13)17-10-14(22)5-7-19(17)25(18)12-15(26)11-24-20-3-1-2-8-23-20/h1-10,15,26H,11-12H2,(H,23,24).
What are the key properties of CID 123584334?
CID 123584334 has a molecular weight of 337.00 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 123584334 is sourced from PubChem (CID 123584334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).