N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide

C18H18F3N3O3 — CID 167880419

IUPACN-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(N3CCOCC3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O3/c1-26-16-8-13(18(19,20)21)7-14(9-16)23-17(25)12-6-15(11-22-10-12)24-2-4-27-5-3-24/h6-11H,2-5H2,1H3,(H,23,25)
InChIKeyCKBPRGCJVWFFLP-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.20
Rot. Bonds4

About N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide

N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide (PubChem CID 167880419) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
PubChem CID167880419
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC NameN-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
SMILESCOc1cc(NC(=O)c2cncc(N3CCOCC3)c2)cc(C(F)(F)F)c1
InChIInChI=1S/C18H18F3N3O3/c1-26-16-8-13(18(19,20)21)7-14(9-16)23-17(25)12-6-15(11-22-10-12)24-2-4-27-5-3-24/h6-11H,2-5H2,1H3,(H,23,25)
InChIKeyCKBPRGCJVWFFLP-UHFFFAOYSA-N
XLogP3.20
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228686
methyl N-[3-[(4-morpholin-4-ylphenyl)carbamoyl]-5-(trifluoromethyl)phenyl]carbamate
CID 167841855
N-(3,4-dimethylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228634
N-(3-acetylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228678
5-morpholin-4-yl-N-propan-2-ylpyridine-3-carboxamide
CID 109223170
N-(4-morpholin-4-ylphenyl)-3,5-bis(trifluoromethyl)benzamide
CID 2565226
N-(3-methoxyphenyl)-5-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109227296
N-(2-methylphenyl)-5-morpholin-4-ylpyridine-3-carboxamide
CID 109228626
N-(4-methoxyphenyl)-5-(morpholine-4-carbonyl)pyridine-3-carboxamide
CID 109103828
3,5-dimethoxy-N-[4-[(5-morpholin-4-ylpyridazin-3-yl)amino]phenyl]benzamide
CID 122354917
N-butan-2-yl-5-morpholin-4-ylpyridine-3-carboxamide
CID 109225123
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816

Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The IUPAC name of N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide (CID 167880419) is N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The canonical SMILES for N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide is COc1cc(NC(=O)c2cncc(N3CCOCC3)c2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide?
The InChIKey is CKBPRGCJVWFFLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c1-26-16-8-13(18(19,20)21)7-14(9-16)23-17(25)12-6-15(11-22-10-12)24-2-4-27-5-3-24/h6-11H,2-5H2,1H3,(H,23,25).
What are the key properties of N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide?
N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide has a molecular weight of 381.35 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-morpholin-4-ylpyridine-3-carboxamide is sourced from PubChem (CID 167880419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).