N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide

C18H21N3O3 — CID 95315395

IUPACN'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide
SMILESCO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2ccc(C)nc2)c1
InChIInChI=1S/C18H21N3O3/c1-12-7-8-14(10-19-12)11-20-17(22)18(23)21-16-6-4-5-15(9-16)13(2)24-3/h4-10,13H,11H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyBTHHZSCFHJNHCM-ZDUSSCGKSA-N
MW327.38 g/mol
LogP2.35
Rot. Bonds5

About N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide

N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide (PubChem CID 95315395) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide.

Molecular Properties

Compound NameN'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide
PubChem CID95315395
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide
SMILESCO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2ccc(C)nc2)c1
InChIInChI=1S/C18H21N3O3/c1-12-7-8-14(10-19-12)11-20-17(22)18(23)21-16-6-4-5-15(9-16)13(2)24-3/h4-10,13H,11H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1
InChIKeyBTHHZSCFHJNHCM-ZDUSSCGKSA-N
XLogP2.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(1-methoxyethyl)phenyl]-3-[(4-methylsulfinylphenyl)methyl]urea
CID 71860771
2-methyl-N-[3-[(6-methyl-3-pyridinyl)methylamino]phenyl]propanamide
CID 104749408
N-[3-[(1R)-1-methoxyethyl]phenyl]-N'-[(1R)-1-(2-methylphenyl)ethyl]oxamide
CID 95160412
N-[[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]methyl]-N'-[3-[(1R)-1-methoxyethyl]phenyl]oxamide
CID 98765324
(2S)-2-amino-N-[3-(1-methoxyethyl)phenyl]-3-phenylpropanamide
CID 119314874
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
1-[3-(1-methoxyethyl)phenyl]-3-[2-(4-methyl-1,3-thiazol-2-yl)propyl]urea
CID 75477535
2-(2-methoxyethylamino)-N-[3-(1-methoxyethyl)phenyl]acetamide;hydrochloride
CID 119768563
1-(4-hydroxy-2-methylpentyl)-3-[3-(1-methoxyethyl)phenyl]urea
CID 111453401
N'-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]oxamide
CID 2184173
N-methyl-3-[(6-methyl-3-pyridinyl)methylamino]benzamide
CID 104756566
1-[(1-hydroxycycloheptyl)methyl]-3-[3-(1-methoxyethyl)phenyl]urea
CID 111431597

Frequently Asked Questions

What is the IUPAC name of N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide?
The IUPAC name of N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide (CID 95315395) is N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide.
What is the SMILES notation for N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide?
The canonical SMILES for N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide is CO[C@@H](C)c1cccc(NC(=O)C(=O)NCc2ccc(C)nc2)c1.
What is the InChIKey of N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide?
The InChIKey is BTHHZSCFHJNHCM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-7-8-14(10-19-12)11-20-17(22)18(23)21-16-6-4-5-15(9-16)13(2)24-3/h4-10,13H,11H2,1-3H3,(H,20,22)(H,21,23)/t13-/m0/s1.
What are the key properties of N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide?
N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide has a molecular weight of 327.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(1S)-1-methoxyethyl]phenyl]-N-[(6-methyl-3-pyridinyl)methyl]oxamide is sourced from PubChem (CID 95315395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).