(3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one

C15H22N4O — CID 164643010

IUPAC(3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC[C@H](N2CCc3nccc(N)c3C2)C1=O
InChIInChI=1S/C15H22N4O/c1-10(2)19-8-5-14(15(19)20)18-7-4-13-11(9-18)12(16)3-6-17-13/h3,6,10,14H,4-5,7-9H2,1-2H3,(H2,16,17)/t14-/m0/s1
InChIKeyYCCUXQOMJNSAPV-AWEZNQCLSA-N
MW274.37 g/mol
LogP1.03
Rot. Bonds2

About (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one

(3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one (PubChem CID 164643010) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one
PubChem CID164643010
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name(3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one
SMILESCC(C)N1CC[C@H](N2CCc3nccc(N)c3C2)C1=O
InChIInChI=1S/C15H22N4O/c1-10(2)19-8-5-14(15(19)20)18-7-4-13-11(9-18)12(16)3-6-17-13/h3,6,10,14H,4-5,7-9H2,1-2H3,(H2,16,17)/t14-/m0/s1
InChIKeyYCCUXQOMJNSAPV-AWEZNQCLSA-N
XLogP1.03
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one?
The IUPAC name of (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one (CID 164643010) is (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one is CC(C)N1CC[C@H](N2CCc3nccc(N)c3C2)C1=O.
What is the InChIKey of (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one?
The InChIKey is YCCUXQOMJNSAPV-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H22N4O/c1-10(2)19-8-5-14(15(19)20)18-7-4-13-11(9-18)12(16)3-6-17-13/h3,6,10,14H,4-5,7-9H2,1-2H3,(H2,16,17)/t14-/m0/s1.
What are the key properties of (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one?
(3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one has a molecular weight of 274.37 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-amino-7,8-dihydro-5H-1,6-naphthyridin-6-yl)-1-propan-2-ylpyrrolidin-2-one is sourced from PubChem (CID 164643010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).