N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide

C16H18N4O3 — CID 131924701

IUPACN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cnc(C)nc2)cc1C
InChIInChI=1S/C16H18N4O3/c1-10-6-13(4-5-14(10)20-15(21)9-23-3)19-16(22)12-7-17-11(2)18-8-12/h4-8H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyHTTFPEWURTZEDM-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.93
Rot. Bonds5

About N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide

N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide (PubChem CID 131924701) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide
PubChem CID131924701
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC NameN-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cnc(C)nc2)cc1C
InChIInChI=1S/C16H18N4O3/c1-10-6-13(4-5-14(10)20-15(21)9-23-3)19-16(22)12-7-17-11(2)18-8-12/h4-8H,9H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyHTTFPEWURTZEDM-UHFFFAOYSA-N
XLogP1.93
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,6-dichloro-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]benzamide
CID 131901895
[4-[[3-methyl-4-[(2-phenoxyacetyl)amino]phenyl]carbamoyl]phenyl] acetate
CID 2233816
2-methoxy-N-(4-methoxy-2-methylphenyl)acetamide
CID 62948733
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(4-methylpyrazol-1-yl)propanamide
CID 131943576
N-(3,4-dimethylphenyl)-2-methoxypyrimidine-5-carboxamide
CID 53337925
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-(1,2,4-triazol-1-yl)benzamide
CID 131899092
2-(3-fluorophenyl)-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]acetamide
CID 131926451
(2S)-2-amino-N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-phenylacetamide
CID 131937070
N-[3-chloro-4-[(2-methoxyacetyl)amino]phenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 131933694
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 131948856
N-(4-chloro-2-methylphenyl)-2-(4-ethoxyanilino)pyrimidine-5-carboxamide
CID 109269080
2-cyano-N-[5-[(2-methoxyacetyl)amino]-2-methylphenyl]acetamide
CID 168522703

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide (CID 131924701) is N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide is COCC(=O)Nc1ccc(NC(=O)c2cnc(C)nc2)cc1C.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide?
The InChIKey is HTTFPEWURTZEDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-6-13(4-5-14(10)20-15(21)9-23-3)19-16(22)12-7-17-11(2)18-8-12/h4-8H,9H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide?
N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide has a molecular weight of 314.35 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-methoxyacetyl)amino]-3-methylphenyl]-2-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 131924701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).