(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide

C19H21N3O — CID 95906210

IUPAC(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C19H21N3O/c1-14(22-19(23)17-5-3-2-4-6-17)15-7-9-16(10-8-15)18-11-20-13-21-12-18/h2-3,7-14,17H,4-6H2,1H3,(H,22,23)/t14-,17-/m0/s1
InChIKeyQKFUZQVRMYNEJU-YOEHRIQHSA-N
MW307.40 g/mol
LogP3.68
Rot. Bonds4

About (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide

(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide (PubChem CID 95906210) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound Name(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
PubChem CID95906210
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide
SMILESC[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(-c2cncnc2)cc1
InChIInChI=1S/C19H21N3O/c1-14(22-19(23)17-5-3-2-4-6-17)15-7-9-16(10-8-15)18-11-20-13-21-12-18/h2-3,7-14,17H,4-6H2,1H3,(H,22,23)/t14-,17-/m0/s1
InChIKeyQKFUZQVRMYNEJU-YOEHRIQHSA-N
XLogP3.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohex-3-ene-1-carboxamide
CID 46485862
2-hydroxy-N-[1-(4-pyrimidin-5-ylphenyl)ethyl]cyclopentane-1-carboxamide
CID 110016061
(3R)-1-methyl-5-oxo-N-[(1R)-1-(4-pyrimidin-5-ylphenyl)ethyl]pyrrolidine-3-carboxamide
CID 95906239
N-[1-(4-pyrimidin-5-ylphenyl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 71985312
(1R,2S,4S)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]bicyclo[2.2.1]hept-5-ene-2-carboxamide
CID 98346460
N-(1-pyridin-2-ylethyl)cyclohex-3-ene-1-carboxamide
CID 42905815
1-(2-cyclopropyl-2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 71867503
1-cyclopropyl-1-(2-hydroxyethyl)-3-[1-(4-pyrimidin-5-ylphenyl)ethyl]urea
CID 71867501
(1R)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806747
(1S)-N-[(1S)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]cyclohex-3-ene-1-carboxamide
CID 94806749
N-but-3-yn-2-ylcyclohex-3-ene-1-carboxamide
CID 114389785
N-[(1S)-1-(4-phenylphenyl)ethyl]cyclobutanecarboxamide
CID 25381115

Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide (CID 95906210) is (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide is C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(-c2cncnc2)cc1.
What is the InChIKey of (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is QKFUZQVRMYNEJU-YOEHRIQHSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14(22-19(23)17-5-3-2-4-6-17)15-7-9-16(10-8-15)18-11-20-13-21-12-18/h2-3,7-14,17H,4-6H2,1H3,(H,22,23)/t14-,17-/m0/s1.
What are the key properties of (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide?
(1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 307.40 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 95906210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).