N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide

C18H18N4O2 — CID 99930822

IUPACN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C18H18N4O2/c1-13-9-15(10-17(23)20-13)18(24)21-16(11-22-8-7-19-12-22)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyVIGPIQAVALMCRB-INIZCTEOSA-N
MW322.37 g/mol
LogP2.05
Rot. Bonds5

About N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide

N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 99930822) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
PubChem CID99930822
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc(=O)[nH]1
InChIInChI=1S/C18H18N4O2/c1-13-9-15(10-17(23)20-13)18(24)21-16(11-22-8-7-19-12-22)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1
InChIKeyVIGPIQAVALMCRB-INIZCTEOSA-N
XLogP2.05
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-imidazol-1-yl-1-phenylethyl)-2,3-dimethylquinoxaline-6-carboxamide
CID 72859785
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CID 77089106
ethane;N-(2-imidazol-1-yl-1-phenylethyl)-4-phenylbenzamide
CID 161441611
N-(2-imidazol-1-yl-1-phenylethyl)-4-pyridin-4-ylbenzamide
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N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-3-methylfuran-2-carboxamide
CID 95197180
N-(2-imidazol-1-yl-1-phenylethyl)-3-methyl-4-(trifluoromethylsulfonylamino)benzamide
CID 166391991
N-(2-imidazol-1-yl-1-phenylethyl)-2-(2,5,7-trimethyl-1H-indol-3-yl)acetamide
CID 70739178
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-propylsulfanylacetamide
CID 124845301
N-(2-imidazol-1-yl-1-phenylethyl)indolizine-3-carboxamide
CID 162635076
3-(2,6-diaminopyrimidin-4-yl)-N-(2-imidazol-1-yl-1-phenylethyl)benzamide
CID 169416226
N-(2-imidazol-1-yl-1-phenylethyl)-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 77097472
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 99958729

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide (CID 99930822) is N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is Cc1cc(C(=O)N[C@@H](Cn2ccnc2)c2ccccc2)cc(=O)[nH]1.
What is the InChIKey of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is VIGPIQAVALMCRB-INIZCTEOSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-9-15(10-17(23)20-13)18(24)21-16(11-22-8-7-19-12-22)14-5-3-2-4-6-14/h2-10,12,16H,11H2,1H3,(H,20,23)(H,21,24)/t16-/m0/s1.
What are the key properties of N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide?
N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-imidazol-1-yl-1-phenylethyl]-2-methyl-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 99930822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).