1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

C18H26N4O2 — CID 137072915

IUPAC1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCc1cc(=O)[nH]c(C(C)N2CCC3C(CCC(=O)N3C3CC3)C2)n1
InChIInChI=1S/C18H26N4O2/c1-11-9-16(23)20-18(19-11)12(2)21-8-7-15-13(10-21)3-6-17(24)22(15)14-4-5-14/h9,12-15H,3-8,10H2,1-2H3,(H,19,20,23)
InChIKeyQWXVIXLOIVNCJR-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.61
Rot. Bonds3

About 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one

1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (PubChem CID 137072915) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
PubChem CID137072915
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
SMILESCc1cc(=O)[nH]c(C(C)N2CCC3C(CCC(=O)N3C3CC3)C2)n1
InChIInChI=1S/C18H26N4O2/c1-11-9-16(23)20-18(19-11)12(2)21-8-7-15-13(10-21)3-6-17(24)22(15)14-4-5-14/h9,12-15H,3-8,10H2,1-2H3,(H,19,20,23)
InChIKeyQWXVIXLOIVNCJR-UHFFFAOYSA-N
XLogP1.61
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The IUPAC name of 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one (CID 137072915) is 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one.
What is the SMILES notation for 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The canonical SMILES for 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is Cc1cc(=O)[nH]c(C(C)N2CCC3C(CCC(=O)N3C3CC3)C2)n1.
What is the InChIKey of 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
The InChIKey is QWXVIXLOIVNCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-11-9-16(23)20-18(19-11)12(2)21-8-7-15-13(10-21)3-6-17(24)22(15)14-4-5-14/h9,12-15H,3-8,10H2,1-2H3,(H,19,20,23).
What are the key properties of 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one?
1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one has a molecular weight of 330.43 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-6-[1-(4-methyl-6-oxo-1H-pyrimidin-2-yl)ethyl]-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one is sourced from PubChem (CID 137072915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).