N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide

C20H21N5O2 — CID 96539654

IUPACN'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
SMILESCc1ccc(C[C@@H](NC(=O)C(=O)Nc2cnn(C)c2)c2ccccn2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-6-8-15(9-7-14)11-18(17-5-3-4-10-21-17)24-20(27)19(26)23-16-12-22-25(2)13-16/h3-10,12-13,18H,11H2,1-2H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyFZSDNEZSOKJRIO-GOSISDBHSA-N
MW363.42 g/mol
LogP2.16
Rot. Bonds5

About N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide

N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide (PubChem CID 96539654) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide.

Molecular Properties

Compound NameN'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
PubChem CID96539654
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide
SMILESCc1ccc(C[C@@H](NC(=O)C(=O)Nc2cnn(C)c2)c2ccccn2)cc1
InChIInChI=1S/C20H21N5O2/c1-14-6-8-15(9-7-14)11-18(17-5-3-4-10-21-17)24-20(27)19(26)23-16-12-22-25(2)13-16/h3-10,12-13,18H,11H2,1-2H3,(H,23,26)(H,24,27)/t18-/m1/s1
InChIKeyFZSDNEZSOKJRIO-GOSISDBHSA-N
XLogP2.16
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 96550885
N-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-pyrazol-1-ylbutanamide
CID 96550907
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide
CID 75392016
N-[4-(dimethylamino)-6-methoxypyrimidin-5-yl]-N'-[(1S)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]oxamide
CID 97246873
2-chloro-N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]acetamide;hydrochloride
CID 154856536
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]butanamide
CID 56791179
N'-[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]oxamide
CID 167982512
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]pyridine-3-carboxamide
CID 56791178
N'-[(1S)-3-methyl-1-(2-methylphenyl)butyl]-N-(1-methylpyrazol-4-yl)oxamide
CID 99697524
4-methyl-N-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-1,3-thiazole-5-carboxamide
CID 96550906
N-[2-(4-methylphenyl)-1-pyridin-2-ylethyl]-4-(triazol-1-yl)benzamide
CID 166187725
N-[(S)-(4-methylphenyl)-pyridin-2-ylmethyl]-3-(1-methylpyrazol-4-yl)propanamide
CID 125139659

Frequently Asked Questions

What is the IUPAC name of N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide?
The IUPAC name of N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide (CID 96539654) is N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide.
What is the SMILES notation for N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide?
The canonical SMILES for N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide is Cc1ccc(C[C@@H](NC(=O)C(=O)Nc2cnn(C)c2)c2ccccn2)cc1.
What is the InChIKey of N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide?
The InChIKey is FZSDNEZSOKJRIO-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-6-8-15(9-7-14)11-18(17-5-3-4-10-21-17)24-20(27)19(26)23-16-12-22-25(2)13-16/h3-10,12-13,18H,11H2,1-2H3,(H,23,26)(H,24,27)/t18-/m1/s1.
What are the key properties of N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide?
N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide has a molecular weight of 363.42 g/mol, XLogP of 2.16, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(1R)-2-(4-methylphenyl)-1-pyridin-2-ylethyl]-N-(1-methylpyrazol-4-yl)oxamide is sourced from PubChem (CID 96539654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).