8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one

C22H29N5O3 — CID 164616886

IUPAC8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)CCN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H29N5O3/c1-14-12-17-18(15-5-10-30-11-6-15)13-24-21(20(17)26-22(14)29)25-16-3-8-27(9-4-16)19(28)2-7-23/h5,12-13,16H,2-4,6-11,23H2,1H3,(H,24,25)(H,26,29)
InChIKeyIUAWXQMTKGNBRT-UHFFFAOYSA-N
MW411.51 g/mol
LogP1.79
Rot. Bonds5

About 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one

8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one (PubChem CID 164616886) has the molecular formula C22H29N5O3 and a molecular weight of 411.51 g/mol. Its IUPAC name is 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
PubChem CID164616886
Molecular FormulaC22H29N5O3
Molecular Weight411.51 g/mol
Exact Mass411.23
IUPAC Name8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)CCN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H29N5O3/c1-14-12-17-18(15-5-10-30-11-6-15)13-24-21(20(17)26-22(14)29)25-16-3-8-27(9-4-16)19(28)2-7-23/h5,12-13,16H,2-4,6-11,23H2,1H3,(H,24,25)(H,26,29)
InChIKeyIUAWXQMTKGNBRT-UHFFFAOYSA-N
XLogP1.79
TPSA113.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.51
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one (CID 164616886) is 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one is Cc1cc2c(C3=CCOCC3)cnc(NC3CCN(C(=O)CCN)CC3)c2[nH]c1=O.
What is the InChIKey of 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
The InChIKey is IUAWXQMTKGNBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O3/c1-14-12-17-18(15-5-10-30-11-6-15)13-24-21(20(17)26-22(14)29)25-16-3-8-27(9-4-16)19(28)2-7-23/h5,12-13,16H,2-4,6-11,23H2,1H3,(H,24,25)(H,26,29).
What are the key properties of 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one?
8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one has a molecular weight of 411.51 g/mol, XLogP of 1.79, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(3-aminopropanoyl)piperidin-4-yl]amino]-5-(3,6-dihydro-2H-pyran-4-yl)-3-methyl-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 164616886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).