(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C17H26N4O2 — CID 95758684

IUPAC(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCCc1ncc2c(n1)CN([C@@H](C)C(=O)NC[C@@H]1CCCO1)CC2
InChIInChI=1S/C17H26N4O2/c1-3-16-18-9-13-6-7-21(11-15(13)20-16)12(2)17(22)19-10-14-5-4-8-23-14/h9,12,14H,3-8,10-11H2,1-2H3,(H,19,22)/t12-,14-/m0/s1
InChIKeyWLTRAILJNXUFRK-JSGCOSHPSA-N
MW318.42 g/mol
LogP1.08
Rot. Bonds5

About (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 95758684) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
PubChem CID95758684
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
SMILESCCc1ncc2c(n1)CN([C@@H](C)C(=O)NC[C@@H]1CCCO1)CC2
InChIInChI=1S/C17H26N4O2/c1-3-16-18-9-13-6-7-21(11-15(13)20-16)12(2)17(22)19-10-14-5-4-8-23-14/h9,12,14H,3-8,10-11H2,1-2H3,(H,19,22)/t12-,14-/m0/s1
InChIKeyWLTRAILJNXUFRK-JSGCOSHPSA-N
XLogP1.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 56781685
(2S)-N-[[(2R)-oxolan-2-yl]methyl]-2-(3-oxo-2-propyl-7,8-dihydro-5H-pyrido[4,3-c]pyridazin-6-yl)propanamide
CID 129461973
(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide
CID 95612697
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 126792536
2-ethyl-7-[[(2S)-oxan-2-yl]methyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 95612716
(2S)-2-[3-(4-methylpyrazol-1-yl)azetidin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95305228
(2R)-2-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 30625134
(2S)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 95280712
2-[4-[(2-methyl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 42934909
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 17034856
2-[2-(5-ethyl-1H-1,2,4-triazol-3-yl)morpholin-4-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 71928117
2-[4-(5-methyl-1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(oxolan-2-ylmethyl)propanamide
CID 136525948

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The IUPAC name of (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 95758684) is (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The canonical SMILES for (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is CCc1ncc2c(n1)CN([C@@H](C)C(=O)NC[C@@H]1CCCO1)CC2.
What is the InChIKey of (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
The InChIKey is WLTRAILJNXUFRK-JSGCOSHPSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-3-16-18-9-13-6-7-21(11-15(13)20-16)12(2)17(22)19-10-14-5-4-8-23-14/h9,12,14H,3-8,10-11H2,1-2H3,(H,19,22)/t12-,14-/m0/s1.
What are the key properties of (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide?
(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 95758684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).