N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide

C25H26N4O3 — CID 66721564

IUPACN-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccccc2NC)CC3)ccn1
InChIInChI=1S/C25H26N4O3/c1-26-22-6-4-3-5-21(22)24(30)29-18-9-7-16-8-10-19(14-17(16)13-18)32-20-11-12-28-23(15-20)25(31)27-2/h3-6,8,10-12,14-15,18,26H,7,9,13H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyJEKLDQCCZHKHLS-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.56
Rot. Bonds6

About N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide

N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide (PubChem CID 66721564) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
PubChem CID66721564
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccccc2NC)CC3)ccn1
InChIInChI=1S/C25H26N4O3/c1-26-22-6-4-3-5-21(22)24(30)29-18-9-7-16-8-10-19(14-17(16)13-18)32-20-11-12-28-23(15-20)25(31)27-2/h3-6,8,10-12,14-15,18,26H,7,9,13H2,1-2H3,(H,27,31)(H,29,30)
InChIKeyJEKLDQCCZHKHLS-UHFFFAOYSA-N
XLogP3.56
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.56
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-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide (CID 66721564) is N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2ccccc2NC)CC3)ccn1.
What is the InChIKey of N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide?
The InChIKey is JEKLDQCCZHKHLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-26-22-6-4-3-5-21(22)24(30)29-18-9-7-16-8-10-19(14-17(16)13-18)32-20-11-12-28-23(15-20)25(31)27-2/h3-6,8,10-12,14-15,18,26H,7,9,13H2,1-2H3,(H,27,31)(H,29,30).
What are the key properties of N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide?
N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.56, 6 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-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 66721564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).