4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

C27H25N5O3S — CID 66721610

IUPAC4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2sc(-c4ccccn4)nc2C)CC3)ccn1
InChIInChI=1S/C27H25N5O3S/c1-16-24(36-27(31-16)22-5-3-4-11-29-22)26(34)32-19-8-6-17-7-9-20(14-18(17)13-19)35-21-10-12-30-23(15-21)25(33)28-2/h3-5,7,9-12,14-15,19H,6,8,13H2,1-2H3,(H,28,33)(H,32,34)
InChIKeyYJAVXEVHPRPCHP-UHFFFAOYSA-N
MW499.60 g/mol
LogP4.35
Rot. Bonds6

About 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide

4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (PubChem CID 66721610) has the molecular formula C27H25N5O3S and a molecular weight of 499.60 g/mol. Its IUPAC name is 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
PubChem CID66721610
Molecular FormulaC27H25N5O3S
Molecular Weight499.60 g/mol
Exact Mass499.17
IUPAC Name4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2sc(-c4ccccn4)nc2C)CC3)ccn1
InChIInChI=1S/C27H25N5O3S/c1-16-24(36-27(31-16)22-5-3-4-11-29-22)26(34)32-19-8-6-17-7-9-20(14-18(17)13-19)35-21-10-12-30-23(15-21)25(33)28-2/h3-5,7,9-12,14-15,19H,6,8,13H2,1-2H3,(H,28,33)(H,32,34)
InChIKeyYJAVXEVHPRPCHP-UHFFFAOYSA-N
XLogP4.35
TPSA106.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.60
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide (CID 66721610) is 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is CNC(=O)c1cc(Oc2ccc3c(c2)CC(NC(=O)c2sc(-c4ccccn4)nc2C)CC3)ccn1.
What is the InChIKey of 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
The InChIKey is YJAVXEVHPRPCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3S/c1-16-24(36-27(31-16)22-5-3-4-11-29-22)26(34)32-19-8-6-17-7-9-20(14-18(17)13-19)35-21-10-12-30-23(15-21)25(33)28-2/h3-5,7,9-12,14-15,19H,6,8,13H2,1-2H3,(H,28,33)(H,32,34).
What are the key properties of 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide?
4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide has a molecular weight of 499.60 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[7-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1,2,3,4-tetrahydronaphthalen-2-yl]-2-pyridin-2-yl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 66721610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).