3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide

C27H41N7O2 — CID 172991694

IUPAC3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide
SMILESCCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CCN(C)CC5)=NC4)CC3)=CC2NC1=O
InChIInChI=1S/C27H41N7O2/c1-3-20-15-24-25(31-26(20)35)14-19(16-28-24)18-33-10-12-34(13-11-33)22-4-5-23(29-17-22)27(36)30-21-6-8-32(2)9-7-21/h4-5,14,16,20-22,24-25H,3,6-13,15,17-18H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyBMFOVOSWCFPUBL-UHFFFAOYSA-N
MW495.67 g/mol
LogP0.49
Rot. Bonds6

About 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide

3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide (PubChem CID 172991694) has the molecular formula C27H41N7O2 and a molecular weight of 495.67 g/mol. Its IUPAC name is 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide.

Molecular Properties

Compound Name3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide
PubChem CID172991694
Molecular FormulaC27H41N7O2
Molecular Weight495.67 g/mol
Exact Mass495.33
IUPAC Name3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide
SMILESCCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CCN(C)CC5)=NC4)CC3)=CC2NC1=O
InChIInChI=1S/C27H41N7O2/c1-3-20-15-24-25(31-26(20)35)14-19(16-28-24)18-33-10-12-34(13-11-33)22-4-5-23(29-17-22)27(36)30-21-6-8-32(2)9-7-21/h4-5,14,16,20-22,24-25H,3,6-13,15,17-18H2,1-2H3,(H,30,36)(H,31,35)
InChIKeyBMFOVOSWCFPUBL-UHFFFAOYSA-N
XLogP0.49
TPSA92.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.67
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide?
The IUPAC name of 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide (CID 172991694) is 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide.
What is the SMILES notation for 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide?
The canonical SMILES for 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide is CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CCN(C)CC5)=NC4)CC3)=CC2NC1=O.
What is the InChIKey of 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide?
The InChIKey is BMFOVOSWCFPUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N7O2/c1-3-20-15-24-25(31-26(20)35)14-19(16-28-24)18-33-10-12-34(13-11-33)22-4-5-23(29-17-22)27(36)30-21-6-8-32(2)9-7-21/h4-5,14,16,20-22,24-25H,3,6-13,15,17-18H2,1-2H3,(H,30,36)(H,31,35).
What are the key properties of 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide?
3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide has a molecular weight of 495.67 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-(1-methylpiperidin-4-yl)-2,3-dihydropyridine-6-carboxamide is sourced from PubChem (CID 172991694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).