4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide

C16H32N4O — CID 81199567

IUPAC4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1CCC2C(CCCN2C)C1)C(N)=O
InChIInChI=1S/C16H32N4O/c1-3-8-18-14(16(17)21)6-10-20-11-7-15-13(12-20)5-4-9-19(15)2/h13-15,18H,3-12H2,1-2H3,(H2,17,21)
InChIKeyPMPCPSHQWXTVEN-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.65
Rot. Bonds7

About 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide

4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide (PubChem CID 81199567) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide.

Molecular Properties

Compound Name4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide
PubChem CID81199567
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide
SMILESCCCNC(CCN1CCC2C(CCCN2C)C1)C(N)=O
InChIInChI=1S/C16H32N4O/c1-3-8-18-14(16(17)21)6-10-20-11-7-15-13(12-20)5-4-9-19(15)2/h13-15,18H,3-12H2,1-2H3,(H2,17,21)
InChIKeyPMPCPSHQWXTVEN-UHFFFAOYSA-N
XLogP0.65
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide?
The IUPAC name of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide (CID 81199567) is 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide.
What is the SMILES notation for 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide?
The canonical SMILES for 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide is CCCNC(CCN1CCC2C(CCCN2C)C1)C(N)=O.
What is the InChIKey of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide?
The InChIKey is PMPCPSHQWXTVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-3-8-18-14(16(17)21)6-10-20-11-7-15-13(12-20)5-4-9-19(15)2/h13-15,18H,3-12H2,1-2H3,(H2,17,21).
What are the key properties of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide?
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide has a molecular weight of 296.46 g/mol, XLogP of 0.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-(propylamino)butanamide is sourced from PubChem (CID 81199567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).