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

C21H26N6O4 — CID 5260828

IUPACethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCc2nc(-c3cccnc3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C21H26N6O4/c1-2-31-18(28)13-23-21(29)27-7-5-17-16(14-27)20(26-8-10-30-11-9-26)25-19(24-17)15-4-3-6-22-12-15/h3-4,6,12H,2,5,7-11,13-14H2,1H3,(H,23,29)
InChIKeyHSCOZVCZFFPPKV-UHFFFAOYSA-N
MW426.48 g/mol
LogP1.01
Rot. Bonds5

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

ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate (PubChem CID 5260828) has the molecular formula C21H26N6O4 and a molecular weight of 426.48 g/mol. Its IUPAC name is ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate
PubChem CID5260828
Molecular FormulaC21H26N6O4
Molecular Weight426.48 g/mol
Exact Mass426.20
IUPAC Nameethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate
SMILESCCOC(=O)CNC(=O)N1CCc2nc(-c3cccnc3)nc(N3CCOCC3)c2C1
InChIInChI=1S/C21H26N6O4/c1-2-31-18(28)13-23-21(29)27-7-5-17-16(14-27)20(26-8-10-30-11-9-26)25-19(24-17)15-4-3-6-22-12-15/h3-4,6,12H,2,5,7-11,13-14H2,1H3,(H,23,29)
InChIKeyHSCOZVCZFFPPKV-UHFFFAOYSA-N
XLogP1.01
TPSA109.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-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-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate?
The IUPAC name of ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate (CID 5260828) is ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate?
The canonical SMILES for ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate is CCOC(=O)CNC(=O)N1CCc2nc(-c3cccnc3)nc(N3CCOCC3)c2C1.
What is the InChIKey of ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate?
The InChIKey is HSCOZVCZFFPPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O4/c1-2-31-18(28)13-23-21(29)27-7-5-17-16(14-27)20(26-8-10-30-11-9-26)25-19(24-17)15-4-3-6-22-12-15/h3-4,6,12H,2,5,7-11,13-14H2,1H3,(H,23,29).
What are the key properties of ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate?
ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate has a molecular weight of 426.48 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(4-morpholin-4-yl-2-pyridin-3-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine-6-carbonyl)amino]acetate is sourced from PubChem (CID 5260828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).