5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

C20H23N5O2 — CID 91820725

IUPAC5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCOc1cncc(-c2cnc(NC3CCNCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C20H23N5O2/c1-12-7-16-17(13-8-15(27-2)10-22-9-13)11-23-19(18(16)25-20(12)26)24-14-3-5-21-6-4-14/h7-11,14,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyFPQQERRFPULCIK-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.47
Rot. Bonds4

About 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one

5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (PubChem CID 91820725) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
PubChem CID91820725
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one
SMILESCOc1cncc(-c2cnc(NC3CCNCC3)c3[nH]c(=O)c(C)cc23)c1
InChIInChI=1S/C20H23N5O2/c1-12-7-16-17(13-8-15(27-2)10-22-9-13)11-23-19(18(16)25-20(12)26)24-14-3-5-21-6-4-14/h7-11,14,21H,3-6H2,1-2H3,(H,23,24)(H,25,26)
InChIKeyFPQQERRFPULCIK-UHFFFAOYSA-N
XLogP2.47
TPSA91.93 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one (CID 91820725) is 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is COc1cncc(-c2cnc(NC3CCNCC3)c3[nH]c(=O)c(C)cc23)c1.
What is the InChIKey of 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
The InChIKey is FPQQERRFPULCIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-7-16-17(13-8-15(27-2)10-22-9-13)11-23-19(18(16)25-20(12)26)24-14-3-5-21-6-4-14/h7-11,14,21H,3-6H2,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one?
5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one has a molecular weight of 365.44 g/mol, XLogP of 2.47, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-3-pyridinyl)-3-methyl-8-(piperidin-4-ylamino)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 91820725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).