2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid

C50H50N6O11 — CID 159936141

IUPAC2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)O)c2ccccc12.O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)OCCO)c2ccccc12
InChIInChI=1S/C26H27N3O6.C24H23N3O5/c30-12-15-35-26(33)21-8-7-20(18-4-1-2-5-19(18)21)24(31)29-22-6-3-11-27-23(22)25(32)28-16-17-9-13-34-14-10-17;28-22(18-7-8-19(24(30)31)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(29)26-14-15-9-12-32-13-10-15/h1-8,11,17,30H,9-10,12-16H2,(H,28,32)(H,29,31);1-8,11,15H,9-10,12-14H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyOAGUNCMNGVNWBM-UHFFFAOYSA-N
MW910.98 g/mol
LogP6.13
Rot. Bonds14

About 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid

2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid (PubChem CID 159936141) has the molecular formula C50H50N6O11 and a molecular weight of 910.98 g/mol. Its IUPAC name is 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid.

Molecular Properties

Compound Name2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
PubChem CID159936141
Molecular FormulaC50H50N6O11
Molecular Weight910.98 g/mol
Exact Mass910.35
IUPAC Name2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid
SMILESO=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)O)c2ccccc12.O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)OCCO)c2ccccc12
InChIInChI=1S/C26H27N3O6.C24H23N3O5/c30-12-15-35-26(33)21-8-7-20(18-4-1-2-5-19(18)21)24(31)29-22-6-3-11-27-23(22)25(32)28-16-17-9-13-34-14-10-17;28-22(18-7-8-19(24(30)31)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(29)26-14-15-9-12-32-13-10-15/h1-8,11,17,30H,9-10,12-16H2,(H,28,32)(H,29,31);1-8,11,15H,9-10,12-14H2,(H,26,29)(H,27,28)(H,30,31)
InChIKeyOAGUNCMNGVNWBM-UHFFFAOYSA-N
XLogP6.13
TPSA244.47 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms67
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500910.98
LogP ≤ 56.13
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Analyze 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid?
The IUPAC name of 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid (CID 159936141) is 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid.
What is the SMILES notation for 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid?
The canonical SMILES for 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid is O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)O)c2ccccc12.O=C(NCC1CCOCC1)c1ncccc1NC(=O)c1ccc(C(=O)OCCO)c2ccccc12.
What is the InChIKey of 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid?
The InChIKey is OAGUNCMNGVNWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O6.C24H23N3O5/c30-12-15-35-26(33)21-8-7-20(18-4-1-2-5-19(18)21)24(31)29-22-6-3-11-27-23(22)25(32)28-16-17-9-13-34-14-10-17;28-22(18-7-8-19(24(30)31)17-5-2-1-4-16(17)18)27-20-6-3-11-25-21(20)23(29)26-14-15-9-12-32-13-10-15/h1-8,11,17,30H,9-10,12-16H2,(H,28,32)(H,29,31);1-8,11,15H,9-10,12-14H2,(H,26,29)(H,27,28)(H,30,31).
What are the key properties of 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid?
2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid has a molecular weight of 910.98 g/mol, XLogP of 6.13, 14 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylate;4-[[2-(oxan-4-ylmethylcarbamoyl)-3-pyridinyl]carbamoyl]naphthalene-1-carboxylic acid is sourced from PubChem (CID 159936141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).