N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

C16H15N5O3 — CID 70307067

IUPACN-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESC=C(N)c1cc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)ncn1
InChIInChI=1S/C16H15N5O3/c1-9(17)11-6-14(19-8-18-11)21-15(22)5-10-2-3-13-12(4-10)20-16(23)7-24-13/h2-4,6,8H,1,5,7,17H2,(H,20,23)(H,18,19,21,22)
InChIKeyHZPHKGAXWHNOAD-UHFFFAOYSA-N
MW325.33 g/mol
LogP0.92
Rot. Bonds4

About N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide

N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (PubChem CID 70307067) has the molecular formula C16H15N5O3 and a molecular weight of 325.33 g/mol. Its IUPAC name is N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.

Molecular Properties

Compound NameN-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
PubChem CID70307067
Molecular FormulaC16H15N5O3
Molecular Weight325.33 g/mol
Exact Mass325.12
IUPAC NameN-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
SMILESC=C(N)c1cc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)ncn1
InChIInChI=1S/C16H15N5O3/c1-9(17)11-6-14(19-8-18-11)21-15(22)5-10-2-3-13-12(4-10)20-16(23)7-24-13/h2-4,6,8H,1,5,7,17H2,(H,20,23)(H,18,19,21,22)
InChIKeyHZPHKGAXWHNOAD-UHFFFAOYSA-N
XLogP0.92
TPSA119.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[[[6-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]pyrimidine-4-carbonyl]amino]methyl]thiophene-2-carboxylic acid
CID 70309846
2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetohydrazide
CID 19002730
2-methyl-4-[(1S)-1-[[6-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]pyrimidine-4-carbonyl]amino]ethyl]benzoic acid
CID 71123375
4-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]benzamide
CID 110770344
methyl (1S)-1-[[6-[[2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetyl]amino]pyrimidine-4-carbonyl]amino]-2,3-dihydro-1H-indene-5-carboxylate
CID 71123365
2-(3-oxo-4H-1,4-benzoxazin-6-yl)-N-phenylacetamide
CID 110770297
6-amino-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
CID 71123341
N-(4-tert-butylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770318
N-(4-ethoxyphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770336
6-(3-chloro-2-oxopropyl)-4H-1,4-benzoxazin-3-one
CID 140510759
N-(3-acetylphenyl)-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 110770345
2-(4-hydroxyphenyl)-N-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide
CID 78838052

Frequently Asked Questions

What is the IUPAC name of N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The IUPAC name of N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide (CID 70307067) is N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide.
What is the SMILES notation for N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The canonical SMILES for N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is C=C(N)c1cc(NC(=O)Cc2ccc3c(c2)NC(=O)CO3)ncn1.
What is the InChIKey of N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
The InChIKey is HZPHKGAXWHNOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O3/c1-9(17)11-6-14(19-8-18-11)21-15(22)5-10-2-3-13-12(4-10)20-16(23)7-24-13/h2-4,6,8H,1,5,7,17H2,(H,20,23)(H,18,19,21,22).
What are the key properties of N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide?
N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide has a molecular weight of 325.33 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(1-aminoethenyl)pyrimidin-4-yl]-2-(3-oxo-4H-1,4-benzoxazin-6-yl)acetamide is sourced from PubChem (CID 70307067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).