5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide

C17H15N5O6 — CID 59803096

IUPAC5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide
SMILESN#Cc1c(OCCO)nc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)[nH]c1=O
InChIInChI=1S/C17H15N5O6/c18-6-10-15(25)21-14(22-17(10)27-4-3-23)16(26)19-7-9-1-2-12-11(5-9)20-13(24)8-28-12/h1-2,5,23H,3-4,7-8H2,(H,19,26)(H,20,24)(H,21,22,25)
InChIKeyZAAMDNCFTHTPLL-UHFFFAOYSA-N
MW385.34 g/mol
LogP-0.73
Rot. Bonds6

About 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide

5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide (PubChem CID 59803096) has the molecular formula C17H15N5O6 and a molecular weight of 385.34 g/mol. Its IUPAC name is 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide
PubChem CID59803096
Molecular FormulaC17H15N5O6
Molecular Weight385.34 g/mol
Exact Mass385.10
IUPAC Name5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide
SMILESN#Cc1c(OCCO)nc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)[nH]c1=O
InChIInChI=1S/C17H15N5O6/c18-6-10-15(25)21-14(22-17(10)27-4-3-23)16(26)19-7-9-1-2-12-11(5-9)20-13(24)8-28-12/h1-2,5,23H,3-4,7-8H2,(H,19,26)(H,20,24)(H,21,22,25)
InChIKeyZAAMDNCFTHTPLL-UHFFFAOYSA-N
XLogP-0.73
TPSA166.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.34
LogP ≤ 5-0.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

6-cyano-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide;4-oxo-2-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2,6-dicarboxamide
CID 159841904
ethane;6-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-quinazoline-2-carboxamide
CID 143679618
6-amino-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
CID 71123341
4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59298722
4-cyclopropyl-5-(3-methylbut-2-en-2-yl)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide
CID 143679578
N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]quinoxaline-6-carboxamide
CID 59802654
6-benzyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59298729
5-benzyl-6-methyl-4-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 25101195
3,11,11-trioxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-8,11λ6-dithia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-2(7),5-diene-5-carboxamide
CID 25145533
4-fluoro-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]benzamide
CID 110738398
6-(1,1-difluoroethyl)-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]pyrimidine-4-carboxamide
CID 71123401
ethyl 12-oxo-10-[(3-oxo-4H-1,4-benzoxazin-6-yl)methylcarbamoyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-triene-3-carboxylate
CID 59379686

Frequently Asked Questions

What is the IUPAC name of 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide?
The IUPAC name of 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide (CID 59803096) is 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide.
What is the SMILES notation for 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide?
The canonical SMILES for 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide is N#Cc1c(OCCO)nc(C(=O)NCc2ccc3c(c2)NC(=O)CO3)[nH]c1=O.
What is the InChIKey of 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide?
The InChIKey is ZAAMDNCFTHTPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O6/c18-6-10-15(25)21-14(22-17(10)27-4-3-23)16(26)19-7-9-1-2-12-11(5-9)20-13(24)8-28-12/h1-2,5,23H,3-4,7-8H2,(H,19,26)(H,20,24)(H,21,22,25).
What are the key properties of 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide?
5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide has a molecular weight of 385.34 g/mol, XLogP of -0.73, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-4-(2-hydroxyethoxy)-6-oxo-N-[(3-oxo-4H-1,4-benzoxazin-6-yl)methyl]-1H-pyrimidine-2-carboxamide is sourced from PubChem (CID 59803096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).