N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide

C17H16Cl2N2O2 — CID 78153059

IUPACN-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncccc21
InChIInChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-15(19)14(10)9-21-16(22)12-4-6-23-17-13(12)3-2-5-20-17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H,21,22)
InChIKeyVXKSAGLRTGWRKM-UHFFFAOYSA-N
MW351.23 g/mol
LogP3.88
Rot. Bonds3

About N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide

N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide (PubChem CID 78153059) has the molecular formula C17H16Cl2N2O2 and a molecular weight of 351.23 g/mol. Its IUPAC name is N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
PubChem CID78153059
Molecular FormulaC17H16Cl2N2O2
Molecular Weight351.23 g/mol
Exact Mass350.06
IUPAC NameN-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
SMILESCc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncccc21
InChIInChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-15(19)14(10)9-21-16(22)12-4-6-23-17-13(12)3-2-5-20-17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H,21,22)
InChIKeyVXKSAGLRTGWRKM-UHFFFAOYSA-N
XLogP3.88
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.23
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide with MolForge

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Related Compounds

2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-c]pyridin-3-yl)acetamide
CID 71239321
2-(2,4-dichloro-6-methylphenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239153
2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239164
2-(2,3-dichlorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239185
2-(2-chloro-4-fluorophenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239187
2-(2,4-dichloro-6-ethylphenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239235
2-(2,4-dichlorophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)propanamide
CID 71239247
2-(2,4-dichloro-6-cyanophenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239412
rac-2-(2,4-dichloro-6-(hydroxymethyl)phenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239428
2-(2,4-dichloro-6-cyclopropylphenyl)-N-(2,3-dihydrofuro[2,3-b]pyridin-3-yl)acetamide
CID 71239435
2-(2,4-dichloro-6-methylphenyl)-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239518
2-[2,4-dichloro-6-(trifluoromethyl)phenyl]-N-(3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl)acetamide
CID 71239541

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide (CID 78153059) is N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide is Cc1cc(Cl)cc(Cl)c1CNC(=O)C1CCOc2ncccc21.
What is the InChIKey of N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The InChIKey is VXKSAGLRTGWRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2O2/c1-10-7-11(18)8-15(19)14(10)9-21-16(22)12-4-6-23-17-13(12)3-2-5-20-17/h2-3,5,7-8,12H,4,6,9H2,1H3,(H,21,22).
What are the key properties of N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide has a molecular weight of 351.23 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichloro-6-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 78153059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).