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

C15H16N4O3 — CID 131904571

IUPACN-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cncnc2C)cc1
InChIInChI=1S/C15H16N4O3/c1-10-13(7-16-9-17-10)15(21)19-12-5-3-11(4-6-12)18-14(20)8-22-2/h3-7,9H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLEGYHVLOPWDAPO-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.62
Rot. Bonds5

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

N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 131904571) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
PubChem CID131904571
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2cncnc2C)cc1
InChIInChI=1S/C15H16N4O3/c1-10-13(7-16-9-17-10)15(21)19-12-5-3-11(4-6-12)18-14(20)8-22-2/h3-7,9H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyLEGYHVLOPWDAPO-UHFFFAOYSA-N
XLogP1.62
TPSA93.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dichlorophenyl)-4-methylpyrimidine-5-carboxamide
CID 110863958
2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 62760279
2-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 131924834
2-iodo-N-[4-[(2-methoxyacetyl)amino]phenyl]-3-methylbenzamide
CID 55690697
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylpyrimidine-5-carboxamide
CID 110863326
N-[4-(2,2-dimethylpropanoylamino)-3-methylphenyl]-4-methylpyrimidine-5-carboxamide
CID 131912526
2-methoxy-N-[4-[[2-(4-methylphenoxy)acetyl]amino]phenyl]acetamide
CID 35333453
4-[(2-methoxyacetyl)amino]-N-phenylbenzamide
CID 138999243
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate
CID 170392422
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide (CID 131904571) is N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide is COCC(=O)Nc1ccc(NC(=O)c2cncnc2C)cc1.
What is the InChIKey of N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is LEGYHVLOPWDAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-10-13(7-16-9-17-10)15(21)19-12-5-3-11(4-6-12)18-14(20)8-22-2/h3-7,9H,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide?
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 300.32 g/mol, XLogP of 1.62, 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]phenyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 131904571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).