N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

C16H17N3O4 — CID 23457492

IUPACN-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C16H17N3O4/c1-3-8(2)17-13(20)9-4-5-12-10(6-9)7-11-14(21)18-16(22)19-15(11)23-12/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H2,18,19,21,22)
InChIKeyDASSRXGSDCPOCQ-UHFFFAOYSA-N
MW315.33 g/mol
LogP1.29
Rot. Bonds3

About N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide

N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (PubChem CID 23457492) has the molecular formula C16H17N3O4 and a molecular weight of 315.33 g/mol. Its IUPAC name is N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
PubChem CID23457492
Molecular FormulaC16H17N3O4
Molecular Weight315.33 g/mol
Exact Mass315.12
IUPAC NameN-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
SMILESCCC(C)NC(=O)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2
InChIInChI=1S/C16H17N3O4/c1-3-8(2)17-13(20)9-4-5-12-10(6-9)7-11-14(21)18-16(22)19-15(11)23-12/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H2,18,19,21,22)
InChIKeyDASSRXGSDCPOCQ-UHFFFAOYSA-N
XLogP1.29
TPSA104.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzhydryl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457364
N-(2-hydroxyethyl)-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 23457452
N-decyl-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 20564246
1,5-dihydrochromeno[2,3-d]pyrimidine-2,4-dione
CID 12693917
N-[(2S)-butan-2-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 95358601
N-(2-hydroxy-2-phenylethyl)-4-oxo-2-sulfanylidene-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide
CID 88771520
N-butan-2-yl-1-methyl-2-oxo-3H-indole-5-carboxamide
CID 52986149
3-amino-N-butan-2-yl-4-methylbenzamide
CID 16771437
4-amino-N-butan-2-ylbenzamide
CID 3503917
N-butan-2-yl-1H-indole-6-carboxamide
CID 47190406
N-[(2S)-butan-2-yl]-1-ethyl-2,3-dioxo-4H-quinoxaline-6-carboxamide
CID 2557057
N-(4-methylhexan-2-yl)-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103708354

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The IUPAC name of N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide (CID 23457492) is N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide.
What is the SMILES notation for N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The canonical SMILES for N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is CCC(C)NC(=O)c1ccc2c(c1)Cc1c([nH]c(=O)[nH]c1=O)O2.
What is the InChIKey of N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
The InChIKey is DASSRXGSDCPOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O4/c1-3-8(2)17-13(20)9-4-5-12-10(6-9)7-11-14(21)18-16(22)19-15(11)23-12/h4-6,8H,3,7H2,1-2H3,(H,17,20)(H2,18,19,21,22).
What are the key properties of N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide?
N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide has a molecular weight of 315.33 g/mol, XLogP of 1.29, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2,4-dioxo-1,5-dihydrochromeno[2,3-d]pyrimidine-7-carboxamide is sourced from PubChem (CID 23457492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).