5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

C19H18FN3O3 — CID 91788110

IUPAC5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)NC(c1ccc(F)cc1)C1CC(O)C1
InChIInChI=1S/C19H18FN3O3/c1-10-16(8-13(9-21)18(25)22-10)19(26)23-17(12-6-15(24)7-12)11-2-4-14(20)5-3-11/h2-5,8,12,15,17,24H,6-7H2,1H3,(H,22,25)(H,23,26)
InChIKeyHICJZFQMUZCPSQ-UHFFFAOYSA-N
MW355.37 g/mol
LogP1.94
Rot. Bonds4

About 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide

5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 91788110) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
PubChem CID91788110
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C#N)cc1C(=O)NC(c1ccc(F)cc1)C1CC(O)C1
InChIInChI=1S/C19H18FN3O3/c1-10-16(8-13(9-21)18(25)22-10)19(26)23-17(12-6-15(24)7-12)11-2-4-14(20)5-3-11/h2-5,8,12,15,17,24H,6-7H2,1H3,(H,22,25)(H,23,26)
InChIKeyHICJZFQMUZCPSQ-UHFFFAOYSA-N
XLogP1.94
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide (CID 91788110) is 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C#N)cc1C(=O)NC(c1ccc(F)cc1)C1CC(O)C1.
What is the InChIKey of 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HICJZFQMUZCPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-10-16(8-13(9-21)18(25)22-10)19(26)23-17(12-6-15(24)7-12)11-2-4-14(20)5-3-11/h2-5,8,12,15,17,24H,6-7H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide?
5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 355.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-[(4-fluorophenyl)-(3-hydroxycyclobutyl)methyl]-2-methyl-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 91788110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).