[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol

C16H25N3O — CID 81199999

IUPAC[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C16H25N3O/c1-12-8-13(11-20)9-17-16(12)19-7-5-15-14(10-19)4-3-6-18(15)2/h8-9,14-15,20H,3-7,10-11H2,1-2H3
InChIKeySPVFSAORPCGBEP-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.80
Rot. Bonds2

About [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol

[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol (PubChem CID 81199999) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol
PubChem CID81199999
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol
SMILESCc1cc(CO)cnc1N1CCC2C(CCCN2C)C1
InChIInChI=1S/C16H25N3O/c1-12-8-13(11-20)9-17-16(12)19-7-5-15-14(10-19)4-3-6-18(15)2/h8-9,14-15,20H,3-7,10-11H2,1-2H3
InChIKeySPVFSAORPCGBEP-UHFFFAOYSA-N
XLogP1.80
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol?
The IUPAC name of [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol (CID 81199999) is [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol.
What is the SMILES notation for [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol?
The canonical SMILES for [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol is Cc1cc(CO)cnc1N1CCC2C(CCCN2C)C1.
What is the InChIKey of [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol?
The InChIKey is SPVFSAORPCGBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-8-13(11-20)9-17-16(12)19-7-5-15-14(10-19)4-3-6-18(15)2/h8-9,14-15,20H,3-7,10-11H2,1-2H3.
What are the key properties of [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol?
[5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol has a molecular weight of 275.40 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-3-pyridinyl]methanol is sourced from PubChem (CID 81199999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).