1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one

C17H24N4O — CID 21276764

IUPAC1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one
SMILESCC(C)NN1CC2=C(c3cccnc31)N(C(C)C)CC(=O)C2
InChIInChI=1S/C17H24N4O/c1-11(2)19-21-9-13-8-14(22)10-20(12(3)4)16(13)15-6-5-7-18-17(15)21/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyXREBFZPIMDQAJY-UHFFFAOYSA-N
MW300.41 g/mol
LogP2.21
Rot. Bonds3

About 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one

1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one (PubChem CID 21276764) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one.

Molecular Properties

Compound Name1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one
PubChem CID21276764
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one
SMILESCC(C)NN1CC2=C(c3cccnc31)N(C(C)C)CC(=O)C2
InChIInChI=1S/C17H24N4O/c1-11(2)19-21-9-13-8-14(22)10-20(12(3)4)16(13)15-6-5-7-18-17(15)21/h5-7,11-12,19H,8-10H2,1-4H3
InChIKeyXREBFZPIMDQAJY-UHFFFAOYSA-N
XLogP2.21
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one?
The IUPAC name of 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one (CID 21276764) is 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one.
What is the SMILES notation for 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one?
The canonical SMILES for 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one is CC(C)NN1CC2=C(c3cccnc31)N(C(C)C)CC(=O)C2.
What is the InChIKey of 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one?
The InChIKey is XREBFZPIMDQAJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O/c1-11(2)19-21-9-13-8-14(22)10-20(12(3)4)16(13)15-6-5-7-18-17(15)21/h5-7,11-12,19H,8-10H2,1-4H3.
What are the key properties of 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one?
1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one has a molecular weight of 300.41 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-6-(propan-2-ylamino)-4,5-dihydro-2H-pyrido[3,2-c][1,8]naphthyridin-3-one is sourced from PubChem (CID 21276764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).