N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

C18H28N6O2 — CID 110262141

IUPACN-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCNc1nc(C2CCCN(C(=O)CNC(C)=O)C2)nc2c1CN(C)CC2
InChIInChI=1S/C18H28N6O2/c1-12(25)20-9-16(26)24-7-4-5-13(10-24)17-21-15-6-8-23(3)11-14(15)18(19-2)22-17/h13H,4-11H2,1-3H3,(H,20,25)(H,19,21,22)
InChIKeySAMXKGXAQJCHBC-UHFFFAOYSA-N
MW360.46 g/mol
LogP0.35
Rot. Bonds4

About N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide

N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (PubChem CID 110262141) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
PubChem CID110262141
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide
SMILESCNc1nc(C2CCCN(C(=O)CNC(C)=O)C2)nc2c1CN(C)CC2
InChIInChI=1S/C18H28N6O2/c1-12(25)20-9-16(26)24-7-4-5-13(10-24)17-21-15-6-8-23(3)11-14(15)18(19-2)22-17/h13H,4-11H2,1-3H3,(H,20,25)(H,19,21,22)
InChIKeySAMXKGXAQJCHBC-UHFFFAOYSA-N
XLogP0.35
TPSA90.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The IUPAC name of N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide (CID 110262141) is N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide.
What is the SMILES notation for N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The canonical SMILES for N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is CNc1nc(C2CCCN(C(=O)CNC(C)=O)C2)nc2c1CN(C)CC2.
What is the InChIKey of N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
The InChIKey is SAMXKGXAQJCHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-12(25)20-9-16(26)24-7-4-5-13(10-24)17-21-15-6-8-23(3)11-14(15)18(19-2)22-17/h13H,4-11H2,1-3H3,(H,20,25)(H,19,21,22).
What are the key properties of N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide?
N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide has a molecular weight of 360.46 g/mol, XLogP of 0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[6-methyl-4-(methylamino)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]piperidin-1-yl]-2-oxoethyl]acetamide is sourced from PubChem (CID 110262141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).