N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide

C16H23N3O2 — CID 138011282

IUPACN-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide
SMILESO=C(NCc1cncc(O)c1)C1NCCC2CCCCC21
InChIInChI=1S/C16H23N3O2/c20-13-7-11(8-17-10-13)9-19-16(21)15-14-4-2-1-3-12(14)5-6-18-15/h7-8,10,12,14-15,18,20H,1-6,9H2,(H,19,21)
InChIKeyGJLYAOYNWZRCLJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP1.57
Rot. Bonds3

About N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide

N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide (PubChem CID 138011282) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide
PubChem CID138011282
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC NameN-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide
SMILESO=C(NCc1cncc(O)c1)C1NCCC2CCCCC21
InChIInChI=1S/C16H23N3O2/c20-13-7-11(8-17-10-13)9-19-16(21)15-14-4-2-1-3-12(14)5-6-18-15/h7-8,10,12,14-15,18,20H,1-6,9H2,(H,19,21)
InChIKeyGJLYAOYNWZRCLJ-UHFFFAOYSA-N
XLogP1.57
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide (CID 138011282) is N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide is O=C(NCc1cncc(O)c1)C1NCCC2CCCCC21.
What is the InChIKey of N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide?
The InChIKey is GJLYAOYNWZRCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c20-13-7-11(8-17-10-13)9-19-16(21)15-14-4-2-1-3-12(14)5-6-18-15/h7-8,10,12,14-15,18,20H,1-6,9H2,(H,19,21).
What are the key properties of N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide?
N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide has a molecular weight of 289.38 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-hydroxy-3-pyridinyl)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 138011282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).