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

C22H33N5O2 — CID 164611373

IUPAC8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(C3CCOCC3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H33N5O2/c1-15-13-18-19(16-5-11-29-12-6-16)14-24-21(20(18)26-22(15)28)25-17-3-9-27(10-4-17)8-2-7-23/h13-14,16-17H,2-12,23H2,1H3,(H,24,25)(H,26,28)
InChIKeyPYSGTFPWZDWYFN-UHFFFAOYSA-N
MW399.54 g/mol
LogP2.35
Rot. Bonds6

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

8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one (PubChem CID 164611373) has the molecular formula C22H33N5O2 and a molecular weight of 399.54 g/mol. Its IUPAC name is 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one.

Molecular Properties

Compound Name8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one
PubChem CID164611373
Molecular FormulaC22H33N5O2
Molecular Weight399.54 g/mol
Exact Mass399.26
IUPAC Name8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one
SMILESCc1cc2c(C3CCOCC3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O
InChIInChI=1S/C22H33N5O2/c1-15-13-18-19(16-5-11-29-12-6-16)14-24-21(20(18)26-22(15)28)25-17-3-9-27(10-4-17)8-2-7-23/h13-14,16-17H,2-12,23H2,1H3,(H,24,25)(H,26,28)
InChIKeyPYSGTFPWZDWYFN-UHFFFAOYSA-N
XLogP2.35
TPSA96.27 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.54
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one?
The IUPAC name of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one (CID 164611373) is 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one.
What is the SMILES notation for 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one?
The canonical SMILES for 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one is Cc1cc2c(C3CCOCC3)cnc(NC3CCN(CCCN)CC3)c2[nH]c1=O.
What is the InChIKey of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one?
The InChIKey is PYSGTFPWZDWYFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O2/c1-15-13-18-19(16-5-11-29-12-6-16)14-24-21(20(18)26-22(15)28)25-17-3-9-27(10-4-17)8-2-7-23/h13-14,16-17H,2-12,23H2,1H3,(H,24,25)(H,26,28).
What are the key properties of 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one?
8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one has a molecular weight of 399.54 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[1-(3-aminopropyl)piperidin-4-yl]amino]-3-methyl-5-(oxan-4-yl)-1H-1,7-naphthyridin-2-one is sourced from PubChem (CID 164611373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).