3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide

C18H27N3O — CID 56904419

IUPAC3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
SMILESCc1ncc2c(c1CNC(=O)CCC1CCCC1)CCNC2
InChIInChI=1S/C18H27N3O/c1-13-17(16-8-9-19-10-15(16)11-20-13)12-21-18(22)7-6-14-4-2-3-5-14/h11,14,19H,2-10,12H2,1H3,(H,21,22)
InChIKeyLWGKOHDOLKDLMO-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.62
Rot. Bonds5

About 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide

3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide (PubChem CID 56904419) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
PubChem CID56904419
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide
SMILESCc1ncc2c(c1CNC(=O)CCC1CCCC1)CCNC2
InChIInChI=1S/C18H27N3O/c1-13-17(16-8-9-19-10-15(16)11-20-13)12-21-18(22)7-6-14-4-2-3-5-14/h11,14,19H,2-10,12H2,1H3,(H,21,22)
InChIKeyLWGKOHDOLKDLMO-UHFFFAOYSA-N
XLogP2.62
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide?
The IUPAC name of 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide (CID 56904419) is 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide.
What is the SMILES notation for 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide?
The canonical SMILES for 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide is Cc1ncc2c(c1CNC(=O)CCC1CCCC1)CCNC2.
What is the InChIKey of 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide?
The InChIKey is LWGKOHDOLKDLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-13-17(16-8-9-19-10-15(16)11-20-13)12-21-18(22)7-6-14-4-2-3-5-14/h11,14,19H,2-10,12H2,1H3,(H,21,22).
What are the key properties of 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide?
3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide has a molecular weight of 301.43 g/mol, XLogP of 2.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-N-[(3-methyl-5,6,7,8-tetrahydro-2,7-naphthyridin-4-yl)methyl]propanamide is sourced from PubChem (CID 56904419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).