7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide

C24H32N6O3 — CID 155019269

IUPAC7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NCC4CCN(C)CC4)nc23)CC1
InChIInChI=1S/C24H32N6O3/c1-24(33-3)8-12-30(13-9-24)21-17(14-25)22(31)28-18-4-5-19(27-20(18)21)23(32)26-15-16-6-10-29(2)11-7-16/h4-5,16H,6-13,15H2,1-3H3,(H,26,32)(H,28,31)
InChIKeyFRFWEDFGLHMONL-UHFFFAOYSA-N
MW452.56 g/mol
LogP1.87
Rot. Bonds5

About 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide

7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide (PubChem CID 155019269) has the molecular formula C24H32N6O3 and a molecular weight of 452.56 g/mol. Its IUPAC name is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
PubChem CID155019269
Molecular FormulaC24H32N6O3
Molecular Weight452.56 g/mol
Exact Mass452.25
IUPAC Name7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide
SMILESCOC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NCC4CCN(C)CC4)nc23)CC1
InChIInChI=1S/C24H32N6O3/c1-24(33-3)8-12-30(13-9-24)21-17(14-25)22(31)28-18-4-5-19(27-20(18)21)23(32)26-15-16-6-10-29(2)11-7-16/h4-5,16H,6-13,15H2,1-3H3,(H,26,32)(H,28,31)
InChIKeyFRFWEDFGLHMONL-UHFFFAOYSA-N
XLogP1.87
TPSA114.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.56
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-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 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The IUPAC name of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide (CID 155019269) is 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide.
What is the SMILES notation for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The canonical SMILES for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide is COC1(C)CCN(c2c(C#N)c(=O)[nH]c3ccc(C(=O)NCC4CCN(C)CC4)nc23)CC1.
What is the InChIKey of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
The InChIKey is FRFWEDFGLHMONL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N6O3/c1-24(33-3)8-12-30(13-9-24)21-17(14-25)22(31)28-18-4-5-19(27-20(18)21)23(32)26-15-16-6-10-29(2)11-7-16/h4-5,16H,6-13,15H2,1-3H3,(H,26,32)(H,28,31).
What are the key properties of 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide?
7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide has a molecular weight of 452.56 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyano-8-(4-methoxy-4-methylpiperidin-1-yl)-N-[(1-methylpiperidin-4-yl)methyl]-6-oxo-5H-1,5-naphthyridine-2-carboxamide is sourced from PubChem (CID 155019269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).