N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide

C20H28N4O3 — CID 95807301

IUPACN-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(C(=O)C1CC1)CC2
InChIInChI=1S/C20H28N4O3/c1-13-21-17-9-10-23(19(26)14-7-8-14)11-16(17)20(27)24(13)12-18(25)22-15-5-3-2-4-6-15/h14-15H,2-12H2,1H3,(H,22,25)
InChIKeyJXWYTXWMLPIYES-UHFFFAOYSA-N
MW372.47 g/mol
LogP1.30
Rot. Bonds4

About N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide

N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide (PubChem CID 95807301) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
PubChem CID95807301
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC NameN-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(C(=O)C1CC1)CC2
InChIInChI=1S/C20H28N4O3/c1-13-21-17-9-10-23(19(26)14-7-8-14)11-16(17)20(27)24(13)12-18(25)22-15-5-3-2-4-6-15/h14-15H,2-12H2,1H3,(H,22,25)
InChIKeyJXWYTXWMLPIYES-UHFFFAOYSA-N
XLogP1.30
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide (CID 95807301) is N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide is Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(C(=O)C1CC1)CC2.
What is the InChIKey of N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is JXWYTXWMLPIYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-13-21-17-9-10-23(19(26)14-7-8-14)11-16(17)20(27)24(13)12-18(25)22-15-5-3-2-4-6-15/h14-15H,2-12H2,1H3,(H,22,25).
What are the key properties of N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 372.47 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6-(cyclopropanecarbonyl)-2-methyl-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 95807301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).