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

C16H25N3O — CID 82521975

IUPAC1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)NCc1cc2c(n(C3CC3)c1=O)CCN(C)C2
InChIInChI=1S/C16H25N3O/c1-11(2)17-9-12-8-13-10-18(3)7-6-15(13)19(16(12)20)14-4-5-14/h8,11,14,17H,4-7,9-10H2,1-3H3
InChIKeyQAZPIJJWOKRIAW-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.67
Rot. Bonds4

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

1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82521975) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82521975
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)NCc1cc2c(n(C3CC3)c1=O)CCN(C)C2
InChIInChI=1S/C16H25N3O/c1-11(2)17-9-12-8-13-10-18(3)7-6-15(13)19(16(12)20)14-4-5-14/h8,11,14,17H,4-7,9-10H2,1-3H3
InChIKeyQAZPIJJWOKRIAW-UHFFFAOYSA-N
XLogP1.67
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one with MolForge

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Related Compounds

1-butan-2-yl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521892
3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522000
1-ethyl-6-methyl-3-(methylaminomethyl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522073
3-(ethylaminomethyl)-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82522108
1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
CID 82525225
3-(aminomethyl)-1-cyclopentyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189237
3-(aminomethyl)-1-cyclohexyl-6-propyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82189243
3-(bromomethyl)-1-cyclopropyl-5,6,7,8-tetrahydroquinolin-2-one
CID 82522451
3-[(cyclopropylamino)methyl]-1-(3-methoxypropyl)-6-methyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521754
1-cyclopropyl-6-methyl-3-(5-sulfanylidene-1,2-dihydro-1,2,4-triazol-3-yl)-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521958
3-(1-aminoethyl)-1-cyclopentyl-6-ethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 82521429
1-cyclopentyl-3-[(cyclopentylamino)methyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 82522868

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82521975) is 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(C)NCc1cc2c(n(C3CC3)c1=O)CCN(C)C2.
What is the InChIKey of 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is QAZPIJJWOKRIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-11(2)17-9-12-8-13-10-18(3)7-6-15(13)19(16(12)20)14-4-5-14/h8,11,14,17H,4-7,9-10H2,1-3H3.
What are the key properties of 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one?
1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 275.40 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-methyl-3-[(propan-2-ylamino)methyl]-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82521975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).