CID 174185094

C13H11B3N4O — CID 174185094

IUPAC—
SMILES[B]C([B])([B])Nc1nccc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C13H11B3N4O/c14-13(15,16)20-11-9-6-18-10(5-8(9)3-4-17-11)19-12(21)7-1-2-7/h3-7H,1-2H2,(H,17,20)(H,18,19,21)
InChIKeyRPBIKRMISHMXEE-UHFFFAOYSA-N
MW271.69 g/mol
LogP0.51
Rot. Bonds4

About CID 174185094

CID 174185094 (PubChem CID 174185094) has the molecular formula C13H11B3N4O and a molecular weight of 271.69 g/mol.

Molecular Properties

Compound NameCID 174185094
PubChem CID174185094
Molecular FormulaC13H11B3N4O
Molecular Weight271.69 g/mol
Exact Mass272.12
IUPAC Name—
SMILES[B]C([B])([B])Nc1nccc2cc(NC(=O)C3CC3)ncc12
InChIInChI=1S/C13H11B3N4O/c14-13(15,16)20-11-9-6-18-10(5-8(9)3-4-17-11)19-12(21)7-1-2-7/h3-7H,1-2H2,(H,17,20)(H,18,19,21)
InChIKeyRPBIKRMISHMXEE-UHFFFAOYSA-N
XLogP0.51
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 50.51
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

N-(8-methoxy-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 178122855
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
CID 174185097
CID 174185097
N-[8-methyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide;molecular hydrogen
CID 142447484
N-[8-chloro-7-methyl-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 163747523
N-[5-methyl-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 170626822
N-[8-oxo-7-(2-trimethylsilylethoxymethyl)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
CID 178122976
N-(8-amino-6-pyridin-3-yl-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 142447490
N-[4-(3-hydroxyprop-1-ynyl)-2-pyridinyl]cyclopropanecarboxamide
CID 102820910
N-(4-ethyl-2-pyridinyl)cyclopropanecarboxamide
CID 89291693
N-[4-methyl-5-(methylamino)-2-pyridinyl]cyclopropanecarboxamide
CID 167023085
N-[7-(2-methyl-5-nitrosophenyl)isoquinolin-3-yl]cyclopropanecarboxamide
CID 88587707

Frequently Asked Questions

What is the IUPAC name of CID 174185094?
The IUPAC name of CID 174185094 (CID 174185094) is not available.
What is the SMILES notation for CID 174185094?
The canonical SMILES for CID 174185094 is [B]C([B])([B])Nc1nccc2cc(NC(=O)C3CC3)ncc12.
What is the InChIKey of CID 174185094?
The InChIKey is RPBIKRMISHMXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11B3N4O/c14-13(15,16)20-11-9-6-18-10(5-8(9)3-4-17-11)19-12(21)7-1-2-7/h3-7H,1-2H2,(H,17,20)(H,18,19,21).
What are the key properties of CID 174185094?
CID 174185094 has a molecular weight of 271.69 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174185094 is sourced from PubChem (CID 174185094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).