(2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide

C17H20N4O2 — CID 95137170

IUPAC(2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide
SMILESCCOc1ncnc2c1CN([C@H](C(N)=O)c1ccccc1)CC2
InChIInChI=1S/C17H20N4O2/c1-2-23-17-13-10-21(9-8-14(13)19-11-20-17)15(16(18)22)12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeySEVPOIDMXAFMHV-HNNXBMFYSA-N
MW312.37 g/mol
LogP1.46
Rot. Bonds5

About (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide

(2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide (PubChem CID 95137170) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide
PubChem CID95137170
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name(2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide
SMILESCCOc1ncnc2c1CN([C@H](C(N)=O)c1ccccc1)CC2
InChIInChI=1S/C17H20N4O2/c1-2-23-17-13-10-21(9-8-14(13)19-11-20-17)15(16(18)22)12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H2,18,22)/t15-/m0/s1
InChIKeySEVPOIDMXAFMHV-HNNXBMFYSA-N
XLogP1.46
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N,N-dimethyl-2-phenylacetamide
CID 95137757
2-(4-methoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 86876960
(2R)-2-(2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-2-phenylacetamide
CID 95281735
2-(4-ethylpiperazin-1-yl)-2-phenylacetamide
CID 86915510
2-(2-cyclopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-phenylacetamide
CID 71932713
2-(azocan-1-yl)-2-phenylacetamide
CID 42889497
2-(3-ethoxypiperidin-1-yl)-2-phenylacetamide
CID 47411464
(2R)-2-(4-acetylpiperazin-1-yl)-2-phenylacetamide
CID 51908871
2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 18078382
2-phenyl-2-piperidin-1-ylacetamide;hydrochloride
CID 138401908
2-[4-(4-ethylbenzoyl)piperazin-1-yl]-2-phenylacetamide
CID 51297445
(2S)-2-(4-fluorophenyl)-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)acetamide
CID 95781739

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide?
The IUPAC name of (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide (CID 95137170) is (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide.
What is the SMILES notation for (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide?
The canonical SMILES for (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide is CCOc1ncnc2c1CN([C@H](C(N)=O)c1ccccc1)CC2.
What is the InChIKey of (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide?
The InChIKey is SEVPOIDMXAFMHV-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-2-23-17-13-10-21(9-8-14(13)19-11-20-17)15(16(18)22)12-6-4-3-5-7-12/h3-7,11,15H,2,8-10H2,1H3,(H2,18,22)/t15-/m0/s1.
What are the key properties of (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide?
(2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide has a molecular weight of 312.37 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-ethoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylacetamide is sourced from PubChem (CID 95137170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).