CID 10084917

C10H12BN3O2 — CID 10084917

IUPAC—
SMILES[B]C(=O)NCC(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C10H12BN3O2/c1-6-3-7(2)13-8(4-6)14-9(15)5-12-10(11)16/h3-4H,5H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyRJVCTULAYGPJOX-UHFFFAOYSA-N
MW217.04 g/mol
LogP0.52
Rot. Bonds3

About CID 10084917

CID 10084917 (PubChem CID 10084917) has the molecular formula C10H12BN3O2 and a molecular weight of 217.04 g/mol.

Molecular Properties

Compound NameCID 10084917
PubChem CID10084917
Molecular FormulaC10H12BN3O2
Molecular Weight217.04 g/mol
Exact Mass217.10
IUPAC Name—
SMILES[B]C(=O)NCC(=O)Nc1cc(C)cc(C)n1
InChIInChI=1S/C10H12BN3O2/c1-6-3-7(2)13-8(4-6)14-9(15)5-12-10(11)16/h3-4H,5H2,1-2H3,(H,12,16)(H,13,14,15)
InChIKeyRJVCTULAYGPJOX-UHFFFAOYSA-N
XLogP0.52
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.04
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze CID 10084917 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

2-chloro-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 4199160
N-(4,6-dimethyl-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 17148768
2-(butan-2-ylamino)-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 114932408
N-(4,6-dimethyl-2-pyridinyl)hexanamide
CID 5075598
benzyl N-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]carbamate
CID 10470827
N-(4,6-dimethyl-2-pyridinyl)nonanamide
CID 4047413
2-[1-[2-[(4,6-dimethyl-2-pyridinyl)amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114931870
2-(aminomethyl)-N-(4,6-dimethyl-2-pyridinyl)-2-ethylbutanamide
CID 114932033
4-[(4,6-dimethyl-2-pyridinyl)amino]-2,2-diethyl-4-oxobutanoic acid
CID 114931869
6-amino-N-(4,6-dimethyl-2-pyridinyl)-4-methylhexanamide
CID 114932264
2-(cyclopropylmethoxy)-N-(4,6-dimethyl-2-pyridinyl)acetamide
CID 136516820
N-(4,6-dimethyl-2-pyridinyl)-3-pyrrol-1-ylbutanamide
CID 174332471

Frequently Asked Questions

What is the IUPAC name of CID 10084917?
The IUPAC name of CID 10084917 (CID 10084917) is not available.
What is the SMILES notation for CID 10084917?
The canonical SMILES for CID 10084917 is [B]C(=O)NCC(=O)Nc1cc(C)cc(C)n1.
What is the InChIKey of CID 10084917?
The InChIKey is RJVCTULAYGPJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BN3O2/c1-6-3-7(2)13-8(4-6)14-9(15)5-12-10(11)16/h3-4H,5H2,1-2H3,(H,12,16)(H,13,14,15).
What are the key properties of CID 10084917?
CID 10084917 has a molecular weight of 217.04 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10084917 is sourced from PubChem (CID 10084917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).