2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide

C23H24N4O — CID 134134473

IUPAC2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESN#Cc1cccc(-c2ccc(C[C@@H](C#N)NC(=O)C3CCCCC3N)cc2)c1
InChIInChI=1S/C23H24N4O/c24-14-17-4-3-5-19(12-17)18-10-8-16(9-11-18)13-20(15-25)27-23(28)21-6-1-2-7-22(21)26/h3-5,8-12,20-22H,1-2,6-7,13,26H2,(H,27,28)/t20-,21?,22?/m0/s1
InChIKeySXZPZXJTWPGYTE-HWELCPFYSA-N
MW372.47 g/mol
LogP3.29
Rot. Bonds5

About 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide

2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide (PubChem CID 134134473) has the molecular formula C23H24N4O and a molecular weight of 372.47 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide
PubChem CID134134473
Molecular FormulaC23H24N4O
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide
SMILESN#Cc1cccc(-c2ccc(C[C@@H](C#N)NC(=O)C3CCCCC3N)cc2)c1
InChIInChI=1S/C23H24N4O/c24-14-17-4-3-5-19(12-17)18-10-8-16(9-11-18)13-20(15-25)27-23(28)21-6-1-2-7-22(21)26/h3-5,8-12,20-22H,1-2,6-7,13,26H2,(H,27,28)/t20-,21?,22?/m0/s1
InChIKeySXZPZXJTWPGYTE-HWELCPFYSA-N
XLogP3.29
TPSA102.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]azetidine-2-carboxamide
CID 42641781
N-[(1S)-2-[4-(3-chlorophenyl)phenyl]-1-cyanoethyl]piperidine-2-carboxamide
CID 67269258
(2S)-N-[(1S)-1-cyano-2-[4-(4-cyanophenyl)phenyl]ethyl]pyrrolidine-2-carboxamide
CID 155561515
3-amino-N-[1-cyano-2-[4-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)phenyl]ethyl]piperidine-4-carboxamide
CID 170754401
1-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]azetidine-2-carboxamide
CID 140544187
(2R)-2-[(2-aminocyclohexanecarbonyl)amino]-3-phenylpropanoic acid
CID 103869014
(2S)-N-[(1S)-1-cyano-2-[4-(4-hydroxyphenyl)phenyl]ethyl]piperidine-2-carboxamide
CID 42641891
N-[(1S)-1-cyano-2-[4-(1,1-dioxo-2,3-dihydro-1,2-benzothiazol-5-yl)phenyl]ethyl]piperidine-2-carboxamide
CID 140544190
N-[(1S)-1-cyano-2-[4-(4-cyano-3-methylsulfanylphenyl)phenyl]ethyl]piperidine-2-carboxamide
CID 67268100
(2S)-N-[(1S)-2-[4-(1,3-benzodioxol-5-yl)phenyl]-1-cyanoethyl]piperidine-2-carboxamide
CID 42642000
(2S)-N-[(1S)-2-[4-[3-[amino(methylsulfonyl)methyl]phenyl]phenyl]-1-cyanoethyl]piperidine-2-carboxamide;2,2,2-trifluoroacetic acid
CID 67055007
2-amino-N-[1-(4-cyanophenyl)ethyl]cyclohexane-1-carboxamide
CID 64824319

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide (CID 134134473) is 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide is N#Cc1cccc(-c2ccc(C[C@@H](C#N)NC(=O)C3CCCCC3N)cc2)c1.
What is the InChIKey of 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide?
The InChIKey is SXZPZXJTWPGYTE-HWELCPFYSA-N. The full InChI is InChI=1S/C23H24N4O/c24-14-17-4-3-5-19(12-17)18-10-8-16(9-11-18)13-20(15-25)27-23(28)21-6-1-2-7-22(21)26/h3-5,8-12,20-22H,1-2,6-7,13,26H2,(H,27,28)/t20-,21?,22?/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide?
2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-cyano-2-[4-(3-cyanophenyl)phenyl]ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 134134473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).