N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide

C12H14F3N4OP — CID 137445272

IUPACN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide
SMILESCCCC(NP)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N4OP/c1-2-3-9(19-21)11(20)18-7-4-8(12(13,14)15)10(5-16)17-6-7/h4,6,9,19H,2-3,21H2,1H3,(H,18,20)
InChIKeyQPBYBUJZMLXMMB-UHFFFAOYSA-N
MW318.24 g/mol
LogP2.46
Rot. Bonds5

About N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide

N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide (PubChem CID 137445272) has the molecular formula C12H14F3N4OP and a molecular weight of 318.24 g/mol. Its IUPAC name is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide.

Molecular Properties

Compound NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide
PubChem CID137445272
Molecular FormulaC12H14F3N4OP
Molecular Weight318.24 g/mol
Exact Mass318.09
IUPAC NameN-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide
SMILESCCCC(NP)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F3N4OP/c1-2-3-9(19-21)11(20)18-7-4-8(12(13,14)15)10(5-16)17-6-7/h4,6,9,19H,2-3,21H2,1H3,(H,18,20)
InChIKeyQPBYBUJZMLXMMB-UHFFFAOYSA-N
XLogP2.46
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.24
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-amino-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxypropanamide
CID 153366038
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methyl-3-(4-methylphenyl)sulfonylpropanamide
CID 118614924
3-azido-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 137405477
N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]-4-methoxybenzamide
CID 172821541
1-(2-chloro-8-propan-2-ylimidazo[1,2-b]pyridazin-7-yl)-3-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]urea
CID 156772508
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(3,5-difluoroindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 138611575
3-(3-bromo-4-cyanopyrazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 146315099
N-[[6-cyano-5-(trifluoromethyl)-3-pyridinyl]carbamothioyl]naphthalene-1-carboxamide
CID 151019291
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-3-(5-fluoro-3-methylindazol-1-yl)-2-hydroxy-2-methylpropanamide
CID 175373793
(2S)-3-(3-chloro-5-fluoroindazol-1-yl)-N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-hydroxy-2-methylpropanamide
CID 156841929
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-1-(3-fluoroanilino)cyclobutane-1-carboxamide
CID 121422674
ethyl 1-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]piperidine-4-carboxylate
CID 162681755

Frequently Asked Questions

What is the IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide?
The IUPAC name of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide (CID 137445272) is N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide.
What is the SMILES notation for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide?
The canonical SMILES for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide is CCCC(NP)C(=O)Nc1cnc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide?
The InChIKey is QPBYBUJZMLXMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3N4OP/c1-2-3-9(19-21)11(20)18-7-4-8(12(13,14)15)10(5-16)17-6-7/h4,6,9,19H,2-3,21H2,1H3,(H,18,20).
What are the key properties of N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide?
N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide has a molecular weight of 318.24 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-cyano-5-(trifluoromethyl)-3-pyridinyl]-2-(phosphanylamino)pentanamide is sourced from PubChem (CID 137445272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).