CID 174091296

C14H18B3N3O3 — CID 174091296

IUPAC—
SMILES[B]C1([B])Cc2ncc(N)cc2C([B])(CO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18B3N3O3/c1-12(2,3)23-11(22)20-13(15,7-21)9-4-8(18)6-19-10(9)5-14(20,16)17/h4,6,21H,5,7,18H2,1-3H3
InChIKeyJNLDRRRZSHYZAA-UHFFFAOYSA-N
MW308.75 g/mol
LogP-0.24
Rot. Bonds1

About CID 174091296

CID 174091296 (PubChem CID 174091296) has the molecular formula C14H18B3N3O3 and a molecular weight of 308.75 g/mol.

Molecular Properties

Compound NameCID 174091296
PubChem CID174091296
Molecular FormulaC14H18B3N3O3
Molecular Weight308.75 g/mol
Exact Mass309.16
IUPAC Name—
SMILES[B]C1([B])Cc2ncc(N)cc2C([B])(CO)N1C(=O)OC(C)(C)C
InChIInChI=1S/C14H18B3N3O3/c1-12(2,3)23-11(22)20-13(15,7-21)9-4-8(18)6-19-10(9)5-14(20,16)17/h4,6,21H,5,7,18H2,1-3H3
InChIKeyJNLDRRRZSHYZAA-UHFFFAOYSA-N
XLogP-0.24
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.75
LogP ≤ 5-0.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze CID 174091296 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

CID 168999054
CID 168999054
tert-butyl 3-amino-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 3-bromo-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate
CID 159373493
tert-butyl 5-aminopyrrolo[2,3-b]pyridine-1-carboxylate
CID 152563693
tert-butyl N-[(6R,7S)-3-amino-6-hydroxy-5,6,7,8-tetrahydroquinolin-7-yl]carbamate
CID 131739721
tert-butyl 2,5-diaminopyridine-3-carboxylate
CID 133055490
tert-butyl 4-(5-aminopyrimidin-2-yl)piperazine-1-carboxylate
CID 59464319
tert-butyl N-(3-amino-5,6,7,8-tetrahydroquinolin-7-yl)carbamate
CID 86643888
(7R)-7-(hydroxymethyl)-6-[(2-methylpropan-2-yl)oxycarbonyl]-5,7-dihydropyrrolo[3,4-b]pyridine-3-carboxylic acid
CID 126707940
6-O-tert-butyl 3-O-methyl 5,7-dihydropyrrolo[3,4-b]pyridine-3,6-dicarboxylate
CID 71433196
tert-butyl 5-amino-3-hydroxypyridine-2-carboxylate
CID 133060838
tert-butyl 4-[(5-amino-3-methyl-2-pyridinyl)oxy]piperidine-1-carboxylate
CID 68624895
tert-butyl 4-[[(5-amino-2-pyridinyl)amino]methyl]piperidine-1-carboxylate
CID 53255819

Frequently Asked Questions

What is the IUPAC name of CID 174091296?
The IUPAC name of CID 174091296 (CID 174091296) is not available.
What is the SMILES notation for CID 174091296?
The canonical SMILES for CID 174091296 is [B]C1([B])Cc2ncc(N)cc2C([B])(CO)N1C(=O)OC(C)(C)C.
What is the InChIKey of CID 174091296?
The InChIKey is JNLDRRRZSHYZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18B3N3O3/c1-12(2,3)23-11(22)20-13(15,7-21)9-4-8(18)6-19-10(9)5-14(20,16)17/h4,6,21H,5,7,18H2,1-3H3.
What are the key properties of CID 174091296?
CID 174091296 has a molecular weight of 308.75 g/mol, XLogP of -0.24, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174091296 is sourced from PubChem (CID 174091296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).