CID 71096910

C19H24BN2O2 — CID 71096910

IUPAC—
SMILESCc1cc(C[B]CCC(C)C)ccc1Oc1ccc(C(N)=O)cn1
InChIInChI=1S/C19H24BN2O2/c1-13(2)8-9-20-11-15-4-6-17(14(3)10-15)24-18-7-5-16(12-22-18)19(21)23/h4-7,10,12-13H,8-9,11H2,1-3H3,(H2,21,23)
InChIKeyULVXTTDEDVXAAV-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.95
Rot. Bonds8

About CID 71096910

CID 71096910 (PubChem CID 71096910) has the molecular formula C19H24BN2O2 and a molecular weight of 323.23 g/mol.

Molecular Properties

Compound NameCID 71096910
PubChem CID71096910
Molecular FormulaC19H24BN2O2
Molecular Weight323.23 g/mol
Exact Mass323.19
IUPAC Name—
SMILESCc1cc(C[B]CCC(C)C)ccc1Oc1ccc(C(N)=O)cn1
InChIInChI=1S/C19H24BN2O2/c1-13(2)8-9-20-11-15-4-6-17(14(3)10-15)24-18-7-5-16(12-22-18)19(21)23/h4-7,10,12-13H,8-9,11H2,1-3H3,(H2,21,23)
InChIKeyULVXTTDEDVXAAV-UHFFFAOYSA-N
XLogP3.95
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 71096910 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[4-(2-aminoethyl)-2-methylphenoxy]pyridine-3-carboxamide
CID 59730260
3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
6-[4-[[cyclopropylmethyl(3-methylbutyl)amino]methyl]-2-fluorophenoxy]pyridine-3-carboxamide
CID 59730099
6-[2-methyl-4-[2-[(5-methylidenecyclohex-3-en-1-yl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 89168291
6-[2-methyl-4-[2-[(3-methylidenecyclohexyl)methylamino]ethyl]phenoxy]pyridine-3-carboxamide
CID 89232249
6-[4-[(2R)-2-aminopropyl]phenoxy]pyridine-3-carboxamide;hydrochloride
CID 22087128
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
6-[4-(3-amino-2-methylpropyl)phenoxy]pyridine-3-carboxamide
CID 174444884
ethanol;methane;bis(6-[4-[(3-methylbutylamino)methyl]phenoxy]pyridine-3-carboxamide);hydrochloride
CID 161325943
4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 59730124
6-[2-fluoro-4-[4-methyl-1-(pentylamino)pentyl]phenoxy]pyridine-3-carboxamide
CID 68748468
6-[4-(2-oxopropyl)phenoxy]pyridine-3-carboxamide
CID 22087205

Frequently Asked Questions

What is the IUPAC name of CID 71096910?
The IUPAC name of CID 71096910 (CID 71096910) is not available.
What is the SMILES notation for CID 71096910?
The canonical SMILES for CID 71096910 is Cc1cc(C[B]CCC(C)C)ccc1Oc1ccc(C(N)=O)cn1.
What is the InChIKey of CID 71096910?
The InChIKey is ULVXTTDEDVXAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BN2O2/c1-13(2)8-9-20-11-15-4-6-17(14(3)10-15)24-18-7-5-16(12-22-18)19(21)23/h4-7,10,12-13H,8-9,11H2,1-3H3,(H2,21,23).
What are the key properties of CID 71096910?
CID 71096910 has a molecular weight of 323.23 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 71096910 is sourced from PubChem (CID 71096910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).