N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide

C14H12F3N3O3 — CID 102561220

IUPACN-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H12F3N3O3/c1-8(19-13(22)9-3-5-23-7-9)12(21)20-11-6-10(2-4-18-11)14(15,16)17/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyCTWDPCHKLJIPHR-UHFFFAOYSA-N
MW327.26 g/mol
LogP2.45
Rot. Bonds4

About N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide

N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide (PubChem CID 102561220) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
PubChem CID102561220
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC NameN-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
SMILESCC(NC(=O)c1ccoc1)C(=O)Nc1cc(C(F)(F)F)ccn1
InChIInChI=1S/C14H12F3N3O3/c1-8(19-13(22)9-3-5-23-7-9)12(21)20-11-6-10(2-4-18-11)14(15,16)17/h2-8H,1H3,(H,19,22)(H,18,20,21)
InChIKeyCTWDPCHKLJIPHR-UHFFFAOYSA-N
XLogP2.45
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.26
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
CID 99782321
N-[(2S)-1-oxo-1-[[3-(trifluoromethyl)phenyl]methylamino]propan-2-yl]furan-3-carboxamide
CID 94031986
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
N-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]furan-3-carboxamide
CID 37354271
2-methyl-N-[3-methyl-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]butan-2-yl]benzamide
CID 86785699
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxamide
CID 99819963
N-[(2S)-1-[(4-methyl-2-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 41083862
[4-(trifluoromethyl)-2-pyridinyl]carbamic acid
CID 67479537
4-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 118623339
N-[1-oxo-1-[3-[(2-propan-2-ylimidazol-1-yl)methyl]anilino]propan-2-yl]furan-3-carboxamide
CID 55859737
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401
3,4-dimethyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 70790724

Frequently Asked Questions

What is the IUPAC name of N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide (CID 102561220) is N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide is CC(NC(=O)c1ccoc1)C(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide?
The InChIKey is CTWDPCHKLJIPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N3O3/c1-8(19-13(22)9-3-5-23-7-9)12(21)20-11-6-10(2-4-18-11)14(15,16)17/h2-8H,1H3,(H,19,22)(H,18,20,21).
What are the key properties of N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide?
N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide has a molecular weight of 327.26 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 102561220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).