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

C26H39N7O2 — CID 172991693

IUPAC3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide
SMILESCCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CCNCC5)=NC4)CC3)=CC2NC1=O
InChIInChI=1S/C26H39N7O2/c1-2-19-14-23-24(31-25(19)34)13-18(15-28-23)17-32-9-11-33(12-10-32)21-3-4-22(29-16-21)26(35)30-20-5-7-27-8-6-20/h3-4,13,15,19-21,23-24,27H,2,5-12,14,16-17H2,1H3,(H,30,35)(H,31,34)
InChIKeyJSGJEBQIRGWRKG-UHFFFAOYSA-N
MW481.65 g/mol
LogP0.15
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-piperidin-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-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide (PubChem CID 172991693) has the molecular formula C26H39N7O2 and a molecular weight of 481.65 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-piperidin-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-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide
PubChem CID172991693
Molecular FormulaC26H39N7O2
Molecular Weight481.65 g/mol
Exact Mass481.32
IUPAC Name3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide
SMILESCCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CCNCC5)=NC4)CC3)=CC2NC1=O
InChIInChI=1S/C26H39N7O2/c1-2-19-14-23-24(31-25(19)34)13-18(15-28-23)17-32-9-11-33(12-10-32)21-3-4-22(29-16-21)26(35)30-20-5-7-27-8-6-20/h3-4,13,15,19-21,23-24,27H,2,5-12,14,16-17H2,1H3,(H,30,35)(H,31,34)
InChIKeyJSGJEBQIRGWRKG-UHFFFAOYSA-N
XLogP0.15
TPSA101.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 50.15
H-Bond Donors ≤ 53
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-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide 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-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-piperidin-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-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide (CID 172991693) is 3-[4-[(7-ethyl-6-oxo-5,7,8,8a-tetrahydro-4aH-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-piperidin-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-piperidin-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-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide is CCC1CC2N=CC(CN3CCN(C4C=CC(C(=O)NC5CCNCC5)=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-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide?
The InChIKey is JSGJEBQIRGWRKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N7O2/c1-2-19-14-23-24(31-25(19)34)13-18(15-28-23)17-32-9-11-33(12-10-32)21-3-4-22(29-16-21)26(35)30-20-5-7-27-8-6-20/h3-4,13,15,19-21,23-24,27H,2,5-12,14,16-17H2,1H3,(H,30,35)(H,31,34).
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-piperidin-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-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide has a molecular weight of 481.65 g/mol, XLogP of 0.15, 6 rotatable bonds, 3 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-piperidin-4-yl-2,3-dihydropyridine-6-carboxamide is sourced from PubChem (CID 172991693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).