N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

C24H20F3N5O3 — CID 90462968

IUPACN-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C#N)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H20F3N5O3/c1-31-14-17(10-20(23(31)34)32-6-8-35-9-7-32)19-12-18(3-2-16(19)13-28)30-22(33)15-4-5-29-21(11-15)24(25,26)27/h2-5,10-12,14H,6-9H2,1H3,(H,30,33)
InChIKeyLTLGSEVOOHUBQL-UHFFFAOYSA-N
MW483.45 g/mol
LogP3.43
Rot. Bonds4

About N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide

N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 90462968) has the molecular formula C24H20F3N5O3 and a molecular weight of 483.45 g/mol. Its IUPAC name is N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID90462968
Molecular FormulaC24H20F3N5O3
Molecular Weight483.45 g/mol
Exact Mass483.15
IUPAC NameN-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C#N)cc(N2CCOCC2)c1=O
InChIInChI=1S/C24H20F3N5O3/c1-31-14-17(10-20(23(31)34)32-6-8-35-9-7-32)19-12-18(3-2-16(19)13-28)30-22(33)15-4-5-29-21(11-15)24(25,26)27/h2-5,10-12,14H,6-9H2,1H3,(H,30,33)
InChIKeyLTLGSEVOOHUBQL-UHFFFAOYSA-N
XLogP3.43
TPSA100.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.45
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide (CID 90462968) is N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is Cn1cc(-c2cc(NC(=O)c3ccnc(C(F)(F)F)c3)ccc2C#N)cc(N2CCOCC2)c1=O.
What is the InChIKey of N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is LTLGSEVOOHUBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N5O3/c1-31-14-17(10-20(23(31)34)32-6-8-35-9-7-32)19-12-18(3-2-16(19)13-28)30-22(33)15-4-5-29-21(11-15)24(25,26)27/h2-5,10-12,14H,6-9H2,1H3,(H,30,33).
What are the key properties of N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide?
N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 483.45 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(1-methyl-5-morpholin-4-yl-6-oxo-3-pyridinyl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 90462968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).