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

C14H12F3N3O3 — CID 99782321

IUPACN-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](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)/t8-/m0/s1
InChIKeyCTWDPCHKLJIPHR-QMMMGPOBSA-N
MW327.26 g/mol
LogP2.45
Rot. Bonds4

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

N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide (PubChem CID 99782321) has the molecular formula C14H12F3N3O3 and a molecular weight of 327.26 g/mol. Its IUPAC name is N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
PubChem CID99782321
Molecular FormulaC14H12F3N3O3
Molecular Weight327.26 g/mol
Exact Mass327.08
IUPAC NameN-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
SMILESC[C@H](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)/t8-/m0/s1
InChIKeyCTWDPCHKLJIPHR-QMMMGPOBSA-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

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

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Related Compounds

N-[1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide
CID 102561220
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
2-methyl-N-[4-(trifluoromethyl)-2-pyridinyl]benzamide
CID 141350962
N-[(2R)-1-(cyclooctylamino)-1-oxopropan-2-yl]furan-3-carboxamide
CID 94170401

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide (CID 99782321) is N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide is C[C@H](NC(=O)c1ccoc1)C(=O)Nc1cc(C(F)(F)F)ccn1.
What is the InChIKey of N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide?
The InChIKey is CTWDPCHKLJIPHR-QMMMGPOBSA-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)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide?
N-[(2S)-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-[(2S)-1-oxo-1-[[4-(trifluoromethyl)-2-pyridinyl]amino]propan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 99782321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).