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

C15H23N5O2 — CID 171388762

IUPACN-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1nc(CC(C)C)nc2c1CCNC2=O
InChIInChI=1S/C15H23N5O2/c1-9(2)7-11-18-13-10(5-6-17-15(13)22)14(19-11)20(4)8-12(21)16-3/h9H,5-8H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyKCNOCEIPWIERJT-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.14
Rot. Bonds5

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

N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide (PubChem CID 171388762) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide
PubChem CID171388762
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC NameN-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide
SMILESCNC(=O)CN(C)c1nc(CC(C)C)nc2c1CCNC2=O
InChIInChI=1S/C15H23N5O2/c1-9(2)7-11-18-13-10(5-6-17-15(13)22)14(19-11)20(4)8-12(21)16-3/h9H,5-8H2,1-4H3,(H,16,21)(H,17,22)
InChIKeyKCNOCEIPWIERJT-UHFFFAOYSA-N
XLogP0.14
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide?
The IUPAC name of N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide (CID 171388762) is N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide.
What is the SMILES notation for N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide?
The canonical SMILES for N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide is CNC(=O)CN(C)c1nc(CC(C)C)nc2c1CCNC2=O.
What is the InChIKey of N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide?
The InChIKey is KCNOCEIPWIERJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c1-9(2)7-11-18-13-10(5-6-17-15(13)22)14(19-11)20(4)8-12(21)16-3/h9H,5-8H2,1-4H3,(H,16,21)(H,17,22).
What are the key properties of N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide?
N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide has a molecular weight of 305.38 g/mol, XLogP of 0.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[methyl-[2-(2-methylpropyl)-8-oxo-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]amino]acetamide is sourced from PubChem (CID 171388762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).