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

C18H29N3O — CID 82522000

IUPAC3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)n1c2c(cc(CNC3CCCC3)c1=O)CN(C)CC2
InChIInChI=1S/C18H29N3O/c1-13(2)21-17-8-9-20(3)12-15(17)10-14(18(21)22)11-19-16-6-4-5-7-16/h10,13,16,19H,4-9,11-12H2,1-3H3
InChIKeyPVBAWPIKYIXWNI-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.45
Rot. Bonds4

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

3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one (PubChem CID 82522000) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is 3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one.

Molecular Properties

Compound Name3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
PubChem CID82522000
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC Name3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one
SMILESCC(C)n1c2c(cc(CNC3CCCC3)c1=O)CN(C)CC2
InChIInChI=1S/C18H29N3O/c1-13(2)21-17-8-9-20(3)12-15(17)10-14(18(21)22)11-19-16-6-4-5-7-16/h10,13,16,19H,4-9,11-12H2,1-3H3
InChIKeyPVBAWPIKYIXWNI-UHFFFAOYSA-N
XLogP2.45
TPSA37.27 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The IUPAC name of 3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one (CID 82522000) is 3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one.
What is the SMILES notation for 3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The canonical SMILES for 3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one is CC(C)n1c2c(cc(CNC3CCCC3)c1=O)CN(C)CC2.
What is the InChIKey of 3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
The InChIKey is PVBAWPIKYIXWNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-13(2)21-17-8-9-20(3)12-15(17)10-14(18(21)22)11-19-16-6-4-5-7-16/h10,13,16,19H,4-9,11-12H2,1-3H3.
What are the key properties of 3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one?
3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one has a molecular weight of 303.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(cyclopentylamino)methyl]-6-methyl-1-propan-2-yl-7,8-dihydro-5H-1,6-naphthyridin-2-one is sourced from PubChem (CID 82522000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).