8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one

C23H35N5O — CID 164623012

IUPAC8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(C3CCCCC3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O
InChIInChI=1S/C23H35N5O/c1-16-14-19-20(17-6-3-2-4-7-17)15-25-22(21(19)27-23(16)29)26-18-8-12-28(13-9-18)11-5-10-24/h14-15,17-18H,2-13,24H2,1H3,(H,25,26)(H,27,29)
InChIKeyZOAYFESEDXLBJX-UHFFFAOYSA-N
MW397.57 g/mol
LogP3.50
Rot. Bonds6

About 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one

8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 164623012) has the molecular formula C23H35N5O and a molecular weight of 397.57 g/mol. Its IUPAC name is 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID164623012
Molecular FormulaC23H35N5O
Molecular Weight397.57 g/mol
Exact Mass397.28
IUPAC Name8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(C3CCCCC3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O
InChIInChI=1S/C23H35N5O/c1-16-14-19-20(17-6-3-2-4-7-17)15-25-22(21(19)27-23(16)29)26-18-8-12-28(13-9-18)11-5-10-24/h14-15,17-18H,2-13,24H2,1H3,(H,25,26)(H,27,29)
InChIKeyZOAYFESEDXLBJX-UHFFFAOYSA-N
XLogP3.50
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.57
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one (CID 164623012) is 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one is Cc1cc2c(C3CCCCC3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O.
What is the InChIKey of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is ZOAYFESEDXLBJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H35N5O/c1-16-14-19-20(17-6-3-2-4-7-17)15-25-22(21(19)27-23(16)29)26-18-8-12-28(13-9-18)11-5-10-24/h14-15,17-18H,2-13,24H2,1H3,(H,25,26)(H,27,29).
What are the key properties of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one?
8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one has a molecular weight of 397.57 g/mol, XLogP of 3.50, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-5-cyclohexyl-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 164623012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).