N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide

C23H22N4O4 — CID 66721431

IUPACN-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc[nH]c2=O)CC3)ccn1
InChIInChI=1S/C23H22N4O4/c1-24-23(30)20-13-18(8-10-25-20)31-17-7-5-14-4-6-16(11-15(14)12-17)27-22(29)19-3-2-9-26-21(19)28/h2-3,5,7-10,12-13,16H,4,6,11H2,1H3,(H,24,30)(H,26,28)(H,27,29)
InChIKeyFIVBONDDRHQXBQ-UHFFFAOYSA-N
MW418.45 g/mol
LogP2.21
Rot. Bonds5

About N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide (PubChem CID 66721431) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
PubChem CID66721431
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC NameN-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc[nH]c2=O)CC3)ccn1
InChIInChI=1S/C23H22N4O4/c1-24-23(30)20-13-18(8-10-25-20)31-17-7-5-14-4-6-16(11-15(14)12-17)27-22(29)19-3-2-9-26-21(19)28/h2-3,5,7-10,12-13,16H,4,6,11H2,1H3,(H,24,30)(H,26,28)(H,27,29)
InChIKeyFIVBONDDRHQXBQ-UHFFFAOYSA-N
XLogP2.21
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide (CID 66721431) is N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccc[nH]c2=O)CC3)ccn1.
What is the InChIKey of N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide?
The InChIKey is FIVBONDDRHQXBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-24-23(30)20-13-18(8-10-25-20)31-17-7-5-14-4-6-16(11-15(14)12-17)27-22(29)19-3-2-9-26-21(19)28/h2-3,5,7-10,12-13,16H,4,6,11H2,1H3,(H,24,30)(H,26,28)(H,27,29).
What are the key properties of N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 2.21, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[7-[(2-oxo-1H-pyridine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 66721431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).