CID 162504415

C15H13BN3O2 — CID 162504415

IUPAC—
SMILESC[B]NC(=O)c1oc2ccncc2c1Nc1ccccc1
InChIInChI=1S/C15H13BN3O2/c1-16-19-15(20)14-13(18-10-5-3-2-4-6-10)11-9-17-8-7-12(11)21-14/h2-9,18H,1H3,(H,19,20)
InChIKeyDFOJSTCQUHOMGZ-UHFFFAOYSA-N
MW278.10 g/mol
LogP2.97
Rot. Bonds4

About CID 162504415

CID 162504415 (PubChem CID 162504415) has the molecular formula C15H13BN3O2 and a molecular weight of 278.10 g/mol.

Molecular Properties

Compound NameCID 162504415
PubChem CID162504415
Molecular FormulaC15H13BN3O2
Molecular Weight278.10 g/mol
Exact Mass278.11
IUPAC Name—
SMILESC[B]NC(=O)c1oc2ccncc2c1Nc1ccccc1
InChIInChI=1S/C15H13BN3O2/c1-16-19-15(20)14-13(18-10-5-3-2-4-6-10)11-9-17-8-7-12(11)21-14/h2-9,18H,1H3,(H,19,20)
InChIKeyDFOJSTCQUHOMGZ-UHFFFAOYSA-N
XLogP2.97
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.10
LogP ≤ 52.97
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

3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxamide
CID 143636123
3-(4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
CID 154558318
ethane;ethyl 3-(4-methylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 143636254
3-phenylfuro[3,2-c]pyridine-2-carboxylic acid
CID 69268109
3-(2,6-difluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 69035529
3-(2-fluoro-4-iodoanilino)-N-phenylmethoxyfuro[3,2-c]pyridine-2-carboxamide
CID 25013801
3-(4-chloroanilino)-N-(2-hydroxypropyl)furo[2,3-c]pyridine-2-carboxamide
CID 58826867
3-(4-bromo-2,5-difluoroanilino)furo[3,2-c]pyridine-2-carboxylic acid
CID 151410687
N-(2,3-dihydroxypropyl)-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxamide;ethane
CID 143636219
3-ethylfuro[3,2-c]pyridine-2-carboxylic acid
CID 84663055
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
N-(5-methyl-2-pyridinyl)-3-(propan-2-ylamino)furo[3,2-c]pyridine-2-carboxamide
CID 142922333

Frequently Asked Questions

What is the IUPAC name of CID 162504415?
The IUPAC name of CID 162504415 (CID 162504415) is not available.
What is the SMILES notation for CID 162504415?
The canonical SMILES for CID 162504415 is C[B]NC(=O)c1oc2ccncc2c1Nc1ccccc1.
What is the InChIKey of CID 162504415?
The InChIKey is DFOJSTCQUHOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BN3O2/c1-16-19-15(20)14-13(18-10-5-3-2-4-6-10)11-9-17-8-7-12(11)21-14/h2-9,18H,1H3,(H,19,20).
What are the key properties of CID 162504415?
CID 162504415 has a molecular weight of 278.10 g/mol, XLogP of 2.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 162504415 is sourced from PubChem (CID 162504415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).