N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide

C17H19ClN2O — CID 105059720

IUPACN-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)(CCl)c2ccccc2)c(C)n1
InChIInChI=1S/C17H19ClN2O/c1-12-9-10-15(13(2)19-12)16(21)20-17(3,11-18)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyMUADOXDMFVZSIH-UHFFFAOYSA-N
MW302.81 g/mol
LogP3.58
Rot. Bonds4

About N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide

N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 105059720) has the molecular formula C17H19ClN2O and a molecular weight of 302.81 g/mol. Its IUPAC name is N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID105059720
Molecular FormulaC17H19ClN2O
Molecular Weight302.81 g/mol
Exact Mass302.12
IUPAC NameN-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)(CCl)c2ccccc2)c(C)n1
InChIInChI=1S/C17H19ClN2O/c1-12-9-10-15(13(2)19-12)16(21)20-17(3,11-18)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,20,21)
InChIKeyMUADOXDMFVZSIH-UHFFFAOYSA-N
XLogP3.58
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.81
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide 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

N-(1-chloro-2-phenylpropan-2-yl)-2-methylpyridine-3-carboxamide
CID 105059848
2-chloro-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 105059808
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62829026
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)-3-methylbenzamide
CID 107984063
N-(3-chloro-2,2-dimethylpropyl)-2,6-dimethylpyridine-3-carboxamide
CID 115364657
3-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-methylbutanoic acid
CID 64671902
N-(1-chloro-2-phenylpropan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102811397
N-(1-chloro-2-phenylpropan-2-yl)-3-methyl-1,2-oxazole-5-carboxamide
CID 105059726
4-bromo-N-(1-chloro-2-phenylpropan-2-yl)-2-hydroxybenzamide
CID 105059796
N-(1-chloro-2-phenylpropan-2-yl)-5-fluoro-2-methylbenzamide
CID 105059795
2-bromo-N-(1-chloro-2-phenylpropan-2-yl)furan-3-carboxamide
CID 106856236
N-(1-chloro-2-phenylpropan-2-yl)-2,6-difluorobenzamide
CID 105059916

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide (CID 105059720) is N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)(CCl)c2ccccc2)c(C)n1.
What is the InChIKey of N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is MUADOXDMFVZSIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O/c1-12-9-10-15(13(2)19-12)16(21)20-17(3,11-18)14-7-5-4-6-8-14/h4-10H,11H2,1-3H3,(H,20,21).
What are the key properties of N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide?
N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 302.81 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-phenylpropan-2-yl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 105059720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).