N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide

C18H16N4O2 — CID 99928466

IUPACN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide
SMILESCn1ccnc1[C@@H](NC(=O)C(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C18H16N4O2/c1-22-11-10-20-17(22)15(13-6-3-2-4-7-13)21-18(24)16(23)14-8-5-9-19-12-14/h2-12,15H,1H3,(H,21,24)/t15-/m0/s1
InChIKeyUESHULQDEULYQM-HNNXBMFYSA-N
MW320.35 g/mol
LogP1.90
Rot. Bonds5

About N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide

N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide (PubChem CID 99928466) has the molecular formula C18H16N4O2 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide.

Molecular Properties

Compound NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide
PubChem CID99928466
Molecular FormulaC18H16N4O2
Molecular Weight320.35 g/mol
Exact Mass320.13
IUPAC NameN-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide
SMILESCn1ccnc1[C@@H](NC(=O)C(=O)c1cccnc1)c1ccccc1
InChIInChI=1S/C18H16N4O2/c1-22-11-10-20-17(22)15(13-6-3-2-4-7-13)21-18(24)16(23)14-8-5-9-19-12-14/h2-12,15H,1H3,(H,21,24)/t15-/m0/s1
InChIKeyUESHULQDEULYQM-HNNXBMFYSA-N
XLogP1.90
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 42924147
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]pyridine-3-carboxamide
CID 31356933
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-3-pyridin-3-ylpropanamide
CID 52521676
N-[[4-(dimethylamino)phenyl]-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 110429479
N-[(3,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 51273477
3-methoxy-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 51259902
N-[(1-methylimidazol-2-yl)-phenylmethyl]-1,3-oxazole-5-carboxamide
CID 90651379
3-amino-N-[(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 61253020
3,5-dichloro-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 40809427
3,5-difluoro-N-[(1-methylimidazol-2-yl)-phenylmethyl]benzamide
CID 17495226
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-2-phenylsulfanylacetamide
CID 40809503
N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]-4-methylsulfonylbenzamide
CID 25339297

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide?
The IUPAC name of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide (CID 99928466) is N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide.
What is the SMILES notation for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide?
The canonical SMILES for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide is Cn1ccnc1[C@@H](NC(=O)C(=O)c1cccnc1)c1ccccc1.
What is the InChIKey of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide?
The InChIKey is UESHULQDEULYQM-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H16N4O2/c1-22-11-10-20-17(22)15(13-6-3-2-4-7-13)21-18(24)16(23)14-8-5-9-19-12-14/h2-12,15H,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide?
N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide has a molecular weight of 320.35 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-(1-methylimidazol-2-yl)-phenylmethyl]-2-oxo-2-pyridin-3-ylacetamide is sourced from PubChem (CID 99928466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).