ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate

C18H27N5O3 — CID 5260770

IUPACethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCc2nc(C)nc(N3CCCCC3)c2C1
InChIInChI=1S/C18H27N5O3/c1-3-26-16(24)11-19-18(25)23-10-7-15-14(12-23)17(21-13(2)20-15)22-8-5-4-6-9-22/h3-12H2,1-2H3,(H,19,25)
InChIKeyHCCKYOTZSPVQNH-UHFFFAOYSA-N
MW361.45 g/mol
LogP1.41
Rot. Bonds4

About ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate

ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate (PubChem CID 5260770) has the molecular formula C18H27N5O3 and a molecular weight of 361.45 g/mol. Its IUPAC name is ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate
PubChem CID5260770
Molecular FormulaC18H27N5O3
Molecular Weight361.45 g/mol
Exact Mass361.21
IUPAC Nameethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCc2nc(C)nc(N3CCCCC3)c2C1
InChIInChI=1S/C18H27N5O3/c1-3-26-16(24)11-19-18(25)23-10-7-15-14(12-23)17(21-13(2)20-15)22-8-5-4-6-9-22/h3-12H2,1-2H3,(H,19,25)
InChIKeyHCCKYOTZSPVQNH-UHFFFAOYSA-N
XLogP1.41
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate (CID 5260770) is ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCc2nc(C)nc(N3CCCCC3)c2C1.
What is the InChIKey of ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is HCCKYOTZSPVQNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O3/c1-3-26-16(24)11-19-18(25)23-10-7-15-14(12-23)17(21-13(2)20-15)22-8-5-4-6-9-22/h3-12H2,1-2H3,(H,19,25).
What are the key properties of ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate?
ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 361.45 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-methyl-4-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 5260770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).