8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one

C17H24N4O2 — CID 122180554

IUPAC8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCOCCN1CCC(Nc2nccc3cc(C)c(=O)[nH]c23)CC1
InChIInChI=1S/C17H24N4O2/c1-12-11-13-3-6-18-16(15(13)20-17(12)22)19-14-4-7-21(8-5-14)9-10-23-2/h3,6,11,14H,4-5,7-10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyUQKHCDGIPTXXED-UHFFFAOYSA-N
MW316.41 g/mol
LogP1.75
Rot. Bonds5

About 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one

8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 122180554) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID122180554
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Name8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCOCCN1CCC(Nc2nccc3cc(C)c(=O)[nH]c23)CC1
InChIInChI=1S/C17H24N4O2/c1-12-11-13-3-6-18-16(15(13)20-17(12)22)19-14-4-7-21(8-5-14)9-10-23-2/h3,6,11,14H,4-5,7-10H2,1-2H3,(H,18,19)(H,20,22)
InChIKeyUQKHCDGIPTXXED-UHFFFAOYSA-N
XLogP1.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one (CID 122180554) is 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one is COCCN1CCC(Nc2nccc3cc(C)c(=O)[nH]c23)CC1.
What is the InChIKey of 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is UQKHCDGIPTXXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-11-13-3-6-18-16(15(13)20-17(12)22)19-14-4-7-21(8-5-14)9-10-23-2/h3,6,11,14H,4-5,7-10H2,1-2H3,(H,18,19)(H,20,22).
What are the key properties of 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one?
8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one has a molecular weight of 316.41 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(2-methoxyethyl)piperidin-4-yl]amino]-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 122180554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).