trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

C17H15N3O — CID 166322112

IUPACtrans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESN#Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H15N3O/c18-9-12-3-5-14(6-4-12)15-8-16(15)17(21)20-11-13-2-1-7-19-10-13/h1-7,10,15-16H,8,11H2,(H,20,21)/t15-,16+/m0/s1
InChIKeyPTEONICLBFZQGN-JKSUJKDBSA-N
MW277.33 g/mol
LogP2.37
Rot. Bonds4

About trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (PubChem CID 166322112) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
PubChem CID166322112
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Nametrans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide
SMILESN#Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccnc2)cc1
InChIInChI=1S/C17H15N3O/c18-9-12-3-5-14(6-4-12)15-8-16(15)17(21)20-11-13-2-1-7-19-10-13/h1-7,10,15-16H,8,11H2,(H,20,21)/t15-,16+/m0/s1
InChIKeyPTEONICLBFZQGN-JKSUJKDBSA-N
XLogP2.37
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-3-[(4-cyanophenyl)methyl]-2-oxo-N-(pyridin-3-ylmethyl)-1,3-oxazolidine-4-carboxamide
CID 50851423
N-(pyridin-3-ylmethyl)adamantane-2-carboxamide
CID 46532026
2-[(4-cyanophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 54936404
(15S)-N-(pyridin-3-ylmethyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 802639
1-N-(2-chlorophenyl)-2-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137091
4-[(pyridin-3-ylmethylamino)methyl]benzonitrile
CID 28671240
1-benzoyl-4-phenyl-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 42680157
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
2-N-[2-(dimethylamino)ethyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109133655
1-(2-acetyl-5-cyanophenyl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133457556
4-[(1R)-2-(isoquinolin-6-ylcarbamoyl)cyclopropyl]-N-(pyridin-3-ylmethyl)benzamide
CID 155370478

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide (CID 166322112) is trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is N#Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccnc2)cc1.
What is the InChIKey of trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
The InChIKey is PTEONICLBFZQGN-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H15N3O/c18-9-12-3-5-14(6-4-12)15-8-16(15)17(21)20-11-13-2-1-7-19-10-13/h1-7,10,15-16H,8,11H2,(H,20,21)/t15-,16+/m0/s1.
What are the key properties of trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-cyanophenyl)-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 166322112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).