N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide

C16H22N2O3 — CID 71698637

IUPACN-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCOc2ncccc21
InChIInChI=1S/C16H22N2O3/c19-14(18-11-16(20)7-2-1-3-8-16)12-6-10-21-15-13(12)5-4-9-17-15/h4-5,9,12,20H,1-3,6-8,10-11H2,(H,18,19)
InChIKeyQMNHSDVRJFYAOM-UHFFFAOYSA-N
MW290.36 g/mol
LogP1.76
Rot. Bonds3

About N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide

N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide (PubChem CID 71698637) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
PubChem CID71698637
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC NameN-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide
SMILESO=C(NCC1(O)CCCCC1)C1CCOc2ncccc21
InChIInChI=1S/C16H22N2O3/c19-14(18-11-16(20)7-2-1-3-8-16)12-6-10-21-15-13(12)5-4-9-17-15/h4-5,9,12,20H,1-3,6-8,10-11H2,(H,18,19)
InChIKeyQMNHSDVRJFYAOM-UHFFFAOYSA-N
XLogP1.76
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The IUPAC name of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide (CID 71698637) is N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide is O=C(NCC1(O)CCCCC1)C1CCOc2ncccc21.
What is the InChIKey of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
The InChIKey is QMNHSDVRJFYAOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c19-14(18-11-16(20)7-2-1-3-8-16)12-6-10-21-15-13(12)5-4-9-17-15/h4-5,9,12,20H,1-3,6-8,10-11H2,(H,18,19).
What are the key properties of N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide?
N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide has a molecular weight of 290.36 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclohexyl)methyl]-3,4-dihydro-2H-pyrano[2,3-b]pyridine-4-carboxamide is sourced from PubChem (CID 71698637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).