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

C20H30N4O3 — CID 95807299

IUPACN-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(C(=O)C(C)C)CC2
InChIInChI=1S/C20H30N4O3/c1-13(2)19(26)23-10-9-17-16(11-23)20(27)24(14(3)21-17)12-18(25)22-15-7-5-4-6-8-15/h13,15H,4-12H2,1-3H3,(H,22,25)
InChIKeyFJLLWOJHNMXYOU-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.54
Rot. Bonds4

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

N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide (PubChem CID 95807299) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
PubChem CID95807299
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide
SMILESCc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(C(=O)C(C)C)CC2
InChIInChI=1S/C20H30N4O3/c1-13(2)19(26)23-10-9-17-16(11-23)20(27)24(14(3)21-17)12-18(25)22-15-7-5-4-6-8-15/h13,15H,4-12H2,1-3H3,(H,22,25)
InChIKeyFJLLWOJHNMXYOU-UHFFFAOYSA-N
XLogP1.54
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide (CID 95807299) is N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide is Cc1nc2c(c(=O)n1CC(=O)NC1CCCCC1)CN(C(=O)C(C)C)CC2.
What is the InChIKey of N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
The InChIKey is FJLLWOJHNMXYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)19(26)23-10-9-17-16(11-23)20(27)24(14(3)21-17)12-18(25)22-15-7-5-4-6-8-15/h13,15H,4-12H2,1-3H3,(H,22,25).
What are the key properties of N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide?
N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide has a molecular weight of 374.49 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[2-methyl-6-(2-methylpropanoyl)-4-oxo-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-3-yl]acetamide is sourced from PubChem (CID 95807299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).