N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide

C23H17ClFN5O — CID 11259064

IUPACN-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide
SMILESC[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2C#N)cc1
InChIInChI=1S/C23H17ClFN5O/c1-14(29-23-22(19(24)10-12-28-23)30-21(31)9-11-26)15-5-7-16(8-6-15)17-3-2-4-20(25)18(17)13-27/h2-8,10,12,14H,9H2,1H3,(H,28,29)(H,30,31)/t14-/m1/s1
InChIKeyZKNSQMRSBCQXFM-CQSZACIVSA-N
MW433.87 g/mol
LogP5.44
Rot. Bonds6

About N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide

N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide (PubChem CID 11259064) has the molecular formula C23H17ClFN5O and a molecular weight of 433.87 g/mol. Its IUPAC name is N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide.

Molecular Properties

Compound NameN-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide
PubChem CID11259064
Molecular FormulaC23H17ClFN5O
Molecular Weight433.87 g/mol
Exact Mass433.11
IUPAC NameN-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide
SMILESC[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2C#N)cc1
InChIInChI=1S/C23H17ClFN5O/c1-14(29-23-22(19(24)10-12-28-23)30-21(31)9-11-26)15-5-7-16(8-6-15)17-3-2-4-20(25)18(17)13-27/h2-8,10,12,14H,9H2,1H3,(H,28,29)(H,30,31)/t14-/m1/s1
InChIKeyZKNSQMRSBCQXFM-CQSZACIVSA-N
XLogP5.44
TPSA101.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.87
LogP ≤ 55.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide with MolForge

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Launch Full Analysis

Related Compounds

N-[4-chloro-2-[1-[4-[3-fluoro-2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10075786
methyl 2-[4-[2-[[4-chloro-3-[(2-cyanoacetyl)amino]-2-pyridinyl]amino]ethyl]phenyl]-6-fluorobenzoate
CID 67131120
N-[2-[1-[4-(2,3-dichlorophenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10050911
N-[4-chloro-2-[2-[4-[3-fluoro-2-(2-methyltetrazol-5-yl)phenyl]phenyl]ethylamino]-3-pyridinyl]-2-cyanoacetamide
CID 67131300
N-[2-[1-[4-(2-chloro-3-fluorophenyl)phenyl]ethylamino]-3-pyridinyl]-3,3,3-trifluoropropanamide
CID 10366575
2-[4-[1-[[4-chloro-3-(2,2,3,3,3-pentafluoropropanoylamino)-2-pyridinyl]amino]ethyl]phenyl]-4-fluorobenzoic acid
CID 10324760
3,3,3-trifluoro-N-[2-[1-[4-[3-fluoro-2-(trifluoromethyl)phenyl]phenyl]ethylamino]-3-pyridinyl]propanamide
CID 10480513
N-[2-[1-[4-(2-cyano-5-methylphenyl)phenyl]ethylamino]-4-methyl-3-pyridinyl]-2,2,3,3,3-pentafluoropropanamide
CID 10096994
2-cyano-N-(2,6-difluorophenyl)acetamide
CID 13174846
2-fluoro-6-[4-(hydroxymethyl)phenyl]benzonitrile
CID 67529789
2-fluoro-6-[1-(4-propan-2-ylphenyl)ethylamino]benzonitrile
CID 43402732
3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219

Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide?
The IUPAC name of N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide (CID 11259064) is N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide.
What is the SMILES notation for N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide?
The canonical SMILES for N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide is C[C@@H](Nc1nccc(Cl)c1NC(=O)CC#N)c1ccc(-c2cccc(F)c2C#N)cc1.
What is the InChIKey of N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide?
The InChIKey is ZKNSQMRSBCQXFM-CQSZACIVSA-N. The full InChI is InChI=1S/C23H17ClFN5O/c1-14(29-23-22(19(24)10-12-28-23)30-21(31)9-11-26)15-5-7-16(8-6-15)17-3-2-4-20(25)18(17)13-27/h2-8,10,12,14H,9H2,1H3,(H,28,29)(H,30,31)/t14-/m1/s1.
What are the key properties of N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide?
N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide has a molecular weight of 433.87 g/mol, XLogP of 5.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-[[(1R)-1-[4-(2-cyano-3-fluorophenyl)phenyl]ethyl]amino]-3-pyridinyl]-2-cyanoacetamide is sourced from PubChem (CID 11259064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).