6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

C27H31N3O6 — CID 16736339

IUPAC6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(OCCO)nc2C(=O)NCC2CCOCC2)c2ccccc12
InChIInChI=1S/C27H31N3O6/c1-34-17-19-6-7-22(21-5-3-2-4-20(19)21)26(32)29-23-8-9-24(36-15-12-31)30-25(23)27(33)28-16-18-10-13-35-14-11-18/h2-9,18,31H,10-17H2,1H3,(H,28,33)(H,29,32)
InChIKeyHDXZQSRWPQPYKR-UHFFFAOYSA-N
MW493.56 g/mol
LogP3.16
Rot. Bonds10

About 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide

6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 16736339) has the molecular formula C27H31N3O6 and a molecular weight of 493.56 g/mol. Its IUPAC name is 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
PubChem CID16736339
Molecular FormulaC27H31N3O6
Molecular Weight493.56 g/mol
Exact Mass493.22
IUPAC Name6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide
SMILESCOCc1ccc(C(=O)Nc2ccc(OCCO)nc2C(=O)NCC2CCOCC2)c2ccccc12
InChIInChI=1S/C27H31N3O6/c1-34-17-19-6-7-22(21-5-3-2-4-20(19)21)26(32)29-23-8-9-24(36-15-12-31)30-25(23)27(33)28-16-18-10-13-35-14-11-18/h2-9,18,31H,10-17H2,1H3,(H,28,33)(H,29,32)
InChIKeyHDXZQSRWPQPYKR-UHFFFAOYSA-N
XLogP3.16
TPSA119.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.56
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide (CID 16736339) is 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is COCc1ccc(C(=O)Nc2ccc(OCCO)nc2C(=O)NCC2CCOCC2)c2ccccc12.
What is the InChIKey of 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is HDXZQSRWPQPYKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N3O6/c1-34-17-19-6-7-22(21-5-3-2-4-20(19)21)26(32)29-23-8-9-24(36-15-12-31)30-25(23)27(33)28-16-18-10-13-35-14-11-18/h2-9,18,31H,10-17H2,1H3,(H,28,33)(H,29,32).
What are the key properties of 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide?
6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 3.16, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethoxy)-3-[[4-(methoxymethyl)naphthalene-1-carbonyl]amino]-N-(oxan-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 16736339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).