5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

C17H18ClN3O4 — CID 91781221

About 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide

5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 91781221) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
• PubChem CID: 91781221
• Molecular Formula: C17H18ClN3O4
• Molecular Weight: 363.80 g/mol
• Exact Mass: 363.10
• IUPAC Name: 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide
• SMILES: COc1ccc(C(NC(=O)c2c[nH]c(=O)c(Cl)c2)C2CC(O)C2)cn1
• InChI: InChI=1S/C17H18ClN3O4/c1-25-14-3-2-9(7-19-14)15(10-4-12(22)5-10)21-16(23)11-6-13(18)17(24)20-8-11/h2-3,6-8,10,12,15,22H,4-5H2,1H3,(H,20,24)(H,21,23)
• InChIKey: JLLQVMRBCHMWLJ-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 104.31 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.80
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?

The IUPAC name of 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide (CID 91781221) is 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide.

What is the SMILES notation for 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?

The canonical SMILES for 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is COc1ccc(C(NC(=O)c2c[nH]c(=O)c(Cl)c2)C2CC(O)C2)cn1.

What is the InChIKey of 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?

The InChIKey is JLLQVMRBCHMWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-25-14-3-2-9(7-19-14)15(10-4-12(22)5-10)21-16(23)11-6-13(18)17(24)20-8-11/h2-3,6-8,10,12,15,22H,4-5H2,1H3,(H,20,24)(H,21,23).

What are the key properties of 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide?

5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 1.67, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91781221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).