N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide

C12H13ClF3N3O2 — CID 66989884

IUPACN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H13ClF3N3O2/c13-9-5-8(12(14,15)16)6-17-10(9)7-18-11(20)19-1-3-21-4-2-19/h5-6H,1-4,7H2,(H,18,20)
InChIKeyQDIULTHZZQMNIP-UHFFFAOYSA-N
MW323.70 g/mol
LogP2.30
Rot. Bonds2

About N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide

N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide (PubChem CID 66989884) has the molecular formula C12H13ClF3N3O2 and a molecular weight of 323.70 g/mol. Its IUPAC name is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
PubChem CID66989884
Molecular FormulaC12H13ClF3N3O2
Molecular Weight323.70 g/mol
Exact Mass323.06
IUPAC NameN-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)N1CCOCC1
InChIInChI=1S/C12H13ClF3N3O2/c13-9-5-8(12(14,15)16)6-17-10(9)7-18-11(20)19-1-3-21-4-2-19/h5-6H,1-4,7H2,(H,18,20)
InChIKeyQDIULTHZZQMNIP-UHFFFAOYSA-N
XLogP2.30
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.70
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
1-acetyl-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 110208637
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 2745367
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-morpholin-4-ylmethanone
CID 2766908
1-[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]piperazin-1-yl]ethanone
CID 71627819
4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(2-fluorophenyl)methyl]piperazine-1-carboxamide
CID 27534821
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
CID 22027356
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,3-dihydropyrrole-2-carboxamide
CID 89152139
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-methylpiperazin-1-yl)acetamide
CID 3655511
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,N'-bis(3-morpholin-4-ylpropyl)propanediamide
CID 3719727
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 22027361

Frequently Asked Questions

What is the IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide?
The IUPAC name of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide (CID 66989884) is N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide.
What is the SMILES notation for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide?
The canonical SMILES for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide is O=C(NCc1ncc(C(F)(F)F)cc1Cl)N1CCOCC1.
What is the InChIKey of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide?
The InChIKey is QDIULTHZZQMNIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClF3N3O2/c13-9-5-8(12(14,15)16)6-17-10(9)7-18-11(20)19-1-3-21-4-2-19/h5-6H,1-4,7H2,(H,18,20).
What are the key properties of N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide?
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide has a molecular weight of 323.70 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide is sourced from PubChem (CID 66989884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).