2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide

C14H13ClF3N5O2 — CID 167761647

IUPAC2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C14H13ClF3N5O2/c15-10-5-8(6-11(21-10)23-1-3-25-4-2-23)12(24)22-13-19-7-9(20-13)14(16,17)18/h5-7H,1-4H2,(H2,19,20,22,24)
InChIKeyGZPJWATVUTZVJA-UHFFFAOYSA-N
MW375.74 g/mol
LogP2.57
Rot. Bonds3

About 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide

2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide (PubChem CID 167761647) has the molecular formula C14H13ClF3N5O2 and a molecular weight of 375.74 g/mol. Its IUPAC name is 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide
PubChem CID167761647
Molecular FormulaC14H13ClF3N5O2
Molecular Weight375.74 g/mol
Exact Mass375.07
IUPAC Name2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide
SMILESO=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(Cl)nc(N2CCOCC2)c1
InChIInChI=1S/C14H13ClF3N5O2/c15-10-5-8(6-11(21-10)23-1-3-25-4-2-23)12(24)22-13-19-7-9(20-13)14(16,17)18/h5-7H,1-4H2,(H2,19,20,22,24)
InChIKeyGZPJWATVUTZVJA-UHFFFAOYSA-N
XLogP2.57
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.74
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-(1,4-oxazepan-4-yl)pyridine-4-carboxylic acid
CID 55139980
2-chloro-6-morpholin-4-yl-N-[4-(2-morpholin-4-ylethoxy)naphthalen-1-yl]pyridine-4-carboxamide
CID 59553184
N-[3-(2-chloro-6-morpholin-4-yl-4-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;ethane
CID 163255645
4-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyridine-2-carboxamide
CID 136564579
3,5-dichloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544249
2,2,2-trideuterio-N-[5-(4,6-dimorpholin-4-ylpyrimidin-2-yl)-4-(trifluoromethyl)-2-pyridinyl]acetamide
CID 77105180
N-(2,3-dichlorophenyl)-2-morpholin-4-ylpyridine-4-carboxamide
CID 109167430
5-chloro-2-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrimidine-4-carboxamide
CID 47044630
N-(1H-indazol-5-yl)-2-morpholin-4-ylpyridine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 117072761
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-6-(trifluoromethyl)pyridine-3-carboxamide
CID 122356884
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide (CID 167761647) is 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide is O=C(Nc1ncc(C(F)(F)F)[nH]1)c1cc(Cl)nc(N2CCOCC2)c1.
What is the InChIKey of 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide?
The InChIKey is GZPJWATVUTZVJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF3N5O2/c15-10-5-8(6-11(21-10)23-1-3-25-4-2-23)12(24)22-13-19-7-9(20-13)14(16,17)18/h5-7H,1-4H2,(H2,19,20,22,24).
What are the key properties of 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide?
2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide has a molecular weight of 375.74 g/mol, XLogP of 2.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-morpholin-4-yl-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 167761647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).