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

C17H17ClN2O2 — CID 71698893

IUPACN-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)C1CCOc2ncccc21
InChIInChI=1S/C17H17ClN2O2/c1-11-12(4-2-6-15(11)18)10-20-16(21)13-7-9-22-17-14(13)5-3-8-19-17/h2-6,8,13H,7,9-10H2,1H3,(H,20,21)
InChIKeyVMKAYXRJJXYVST-UHFFFAOYSA-N
MW316.79 g/mol
LogP3.23
Rot. Bonds3

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

N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide (PubChem CID 71698893) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
PubChem CID71698893
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC NameN-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
SMILESCc1c(Cl)cccc1CNC(=O)C1CCOc2ncccc21
InChIInChI=1S/C17H17ClN2O2/c1-11-12(4-2-6-15(11)18)10-20-16(21)13-7-9-22-17-14(13)5-3-8-19-17/h2-6,8,13H,7,9-10H2,1H3,(H,20,21)
InChIKeyVMKAYXRJJXYVST-UHFFFAOYSA-N
XLogP3.23
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide (CID 71698893) is N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide is Cc1c(Cl)cccc1CNC(=O)C1CCOc2ncccc21.
What is the InChIKey of N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The InChIKey is VMKAYXRJJXYVST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-11-12(4-2-6-15(11)18)10-20-16(21)13-7-9-22-17-14(13)5-3-8-19-17/h2-6,8,13H,7,9-10H2,1H3,(H,20,21).
What are the key properties of N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide has a molecular weight of 316.79 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-methylphenyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 71698893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).