1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one

C17H29N3O — CID 82521892

IUPAC1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCC(C)n1c2c(cc(CNC(C)C)c1=O)CN(C)CC2
InChIInChI=1S/C17H29N3O/c1-6-13(4)20-16-7-8-19(5)11-15(16)9-14(17(20)21)10-18-12(2)3/h9,12-13,18H,6-8,10-11H2,1-5H3
InChIKeyQHAUGUSUCUMIQY-UHFFFAOYSA-N
MW291.44 g/mol
LogP2.31
Rot. Bonds5

About 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one

1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521892) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521892
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCCC(C)n1c2c(cc(CNC(C)C)c1=O)CN(C)CC2
InChIInChI=1S/C17H29N3O/c1-6-13(4)20-16-7-8-19(5)11-15(16)9-14(17(20)21)10-18-12(2)3/h9,12-13,18H,6-8,10-11H2,1-5H3
InChIKeyQHAUGUSUCUMIQY-UHFFFAOYSA-N
XLogP2.31
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521892) is 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is CCC(C)n1c2c(cc(CNC(C)C)c1=O)CN(C)CC2.
What is the InChIKey of 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is QHAUGUSUCUMIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-6-13(4)20-16-7-8-19(5)11-15(16)9-14(17(20)21)10-18-12(2)3/h9,12-13,18H,6-8,10-11H2,1-5H3.
What are the key properties of 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 291.44 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).