5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide

C23H24ClN5O4 — CID 42278979

IUPAC5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1O[C@H](C)C(=O)NNc1ncc(Cl)c(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C23H24ClN5O4/c1-13-9-10-16(11-14(13)2)26-22(31)20-17(24)12-25-23(27-20)29-28-21(30)15(3)33-19-8-6-5-7-18(19)32-4/h5-12,15H,1-4H3,(H,26,31)(H,28,30)(H,25,27,29)/t15-/m1/s1
InChIKeyOXXPHFAIJILFLQ-OAHLLOKOSA-N
MW469.93 g/mol
LogP3.92
Rot. Bonds8

About 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide

5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide (PubChem CID 42278979) has the molecular formula C23H24ClN5O4 and a molecular weight of 469.93 g/mol. Its IUPAC name is 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide
PubChem CID42278979
Molecular FormulaC23H24ClN5O4
Molecular Weight469.93 g/mol
Exact Mass469.15
IUPAC Name5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide
SMILESCOc1ccccc1O[C@H](C)C(=O)NNc1ncc(Cl)c(C(=O)Nc2ccc(C)c(C)c2)n1
InChIInChI=1S/C23H24ClN5O4/c1-13-9-10-16(11-14(13)2)26-22(31)20-17(24)12-25-23(27-20)29-28-21(30)15(3)33-19-8-6-5-7-18(19)32-4/h5-12,15H,1-4H3,(H,26,31)(H,28,30)(H,25,27,29)/t15-/m1/s1
InChIKeyOXXPHFAIJILFLQ-OAHLLOKOSA-N
XLogP3.92
TPSA114.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.93
LogP ≤ 53.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-(3,4-dimethylphenyl)propanamide
CID 909534
(2R)-2-(2-methoxyphenoxy)-N-naphthalen-2-ylpropanamide
CID 805506
N-(3,4-dimethylphenyl)-2-(2-propan-2-yloxyanilino)pyrimidine-5-carboxamide
CID 109266715
(2S)-N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 40745330
N-(3-chloro-4-methoxyphenyl)-2-(3,4-dimethylphenoxy)propanamide
CID 53266530
N'-[2-(2-chlorophenoxy)propanoyl]-3,4-dimethoxybenzohydrazide
CID 4932300
N-[2-(3,4-dimethylphenoxy)ethyl]-2-(2-methoxyphenoxy)propanamide
CID 133211011
N-(3,4-dimethylphenyl)-4-[(2-methoxyphenoxy)methyl]benzamide
CID 126186357
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
2-(2,4-dichlorophenoxy)-N-[(3,4-dimethylphenyl)carbamothioyl]propanamide
CID 5181953
N'-[2-(4-chloro-3,5-dimethylphenoxy)acetyl]-2-(2-methoxyphenoxy)propanehydrazide
CID 4943310
2-(2-methoxyphenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 17190948

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide (CID 42278979) is 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide is COc1ccccc1O[C@H](C)C(=O)NNc1ncc(Cl)c(C(=O)Nc2ccc(C)c(C)c2)n1.
What is the InChIKey of 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide?
The InChIKey is OXXPHFAIJILFLQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24ClN5O4/c1-13-9-10-16(11-14(13)2)26-22(31)20-17(24)12-25-23(27-20)29-28-21(30)15(3)33-19-8-6-5-7-18(19)32-4/h5-12,15H,1-4H3,(H,26,31)(H,28,30)(H,25,27,29)/t15-/m1/s1.
What are the key properties of 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide?
5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide has a molecular weight of 469.93 g/mol, XLogP of 3.92, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,4-dimethylphenyl)-2-[2-[(2R)-2-(2-methoxyphenoxy)propanoyl]hydrazinyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 42278979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).