N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide

C18H17ClF3N3O2 — CID 47982074

IUPACN-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1)C1CCCO1
InChIInChI=1S/C18H17ClF3N3O2/c19-14-8-12(18(20,21)22)10-24-16(14)23-9-11-3-1-4-13(7-11)25-17(26)15-5-2-6-27-15/h1,3-4,7-8,10,15H,2,5-6,9H2,(H,23,24)(H,25,26)
InChIKeyFYRSJFAPDHRFGH-UHFFFAOYSA-N
MW399.80 g/mol
LogP4.48
Rot. Bonds5

About N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide

N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide (PubChem CID 47982074) has the molecular formula C18H17ClF3N3O2 and a molecular weight of 399.80 g/mol. Its IUPAC name is N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide
PubChem CID47982074
Molecular FormulaC18H17ClF3N3O2
Molecular Weight399.80 g/mol
Exact Mass399.10
IUPAC NameN-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide
SMILESO=C(Nc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1)C1CCCO1
InChIInChI=1S/C18H17ClF3N3O2/c19-14-8-12(18(20,21)22)10-24-16(14)23-9-11-3-1-4-13(7-11)25-17(26)15-5-2-6-27-15/h1,3-4,7-8,10,15H,2,5-6,9H2,(H,23,24)(H,25,26)
InChIKeyFYRSJFAPDHRFGH-UHFFFAOYSA-N
XLogP4.48
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.80
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[3-[[(3,5-dichloro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 100663858
N-[3-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46593147
N-[3-[(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)methyl]phenyl]oxolane-2-carboxamide
CID 133274136
N-[3-[[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]methyl]phenyl]oxolane-2-carboxamide
CID 47982105
N-[3-[[(3-chlorophenyl)carbamoylamino]methyl]phenyl]oxolane-2-carboxamide
CID 60586470
N-[3-(methylaminomethyl)phenyl]oxolane-2-carboxamide
CID 43601839
(2S)-N-[3-[[(3-nitro-2-pyridinyl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 94825831
N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133442683
6-[[3-(oxolane-2-carbonylamino)phenyl]methylamino]pyridine-2-carboxylic acid
CID 122047903
4-[[3-(oxolane-2-carbonylamino)phenyl]methylcarbamoyl]benzoic acid
CID 119182538
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-ethyl-4-[[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]methylamino]pyridine-2-carboxamide
CID 97315172

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide (CID 47982074) is N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide is O=C(Nc1cccc(CNc2ncc(C(F)(F)F)cc2Cl)c1)C1CCCO1.
What is the InChIKey of N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide?
The InChIKey is FYRSJFAPDHRFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3N3O2/c19-14-8-12(18(20,21)22)10-24-16(14)23-9-11-3-1-4-13(7-11)25-17(26)15-5-2-6-27-15/h1,3-4,7-8,10,15H,2,5-6,9H2,(H,23,24)(H,25,26).
What are the key properties of N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide?
N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide has a molecular weight of 399.80 g/mol, XLogP of 4.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]methyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 47982074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).