2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide

C16H21N5O2 — CID 56781685

IUPAC2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCc1ncc2c(n1)CN(C(C)C(=O)Nc1cc(C)no1)CC2
InChIInChI=1S/C16H21N5O2/c1-4-14-17-8-12-5-6-21(9-13(12)18-14)11(3)16(22)19-15-7-10(2)20-23-15/h7-8,11H,4-6,9H2,1-3H3,(H,19,22)
InChIKeyWFBXPORFPIWZHA-UHFFFAOYSA-N
MW315.38 g/mol
LogP1.72
Rot. Bonds4

About 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide

2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide (PubChem CID 56781685) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound Name2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
PubChem CID56781685
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide
SMILESCCc1ncc2c(n1)CN(C(C)C(=O)Nc1cc(C)no1)CC2
InChIInChI=1S/C16H21N5O2/c1-4-14-17-8-12-5-6-21(9-13(12)18-14)11(3)16(22)19-15-7-10(2)20-23-15/h7-8,11H,4-6,9H2,1-3H3,(H,19,22)
InChIKeyWFBXPORFPIWZHA-UHFFFAOYSA-N
XLogP1.72
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95758684
(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-(3,4-dihydro-1H-isoquinolin-2-yl)-1-(2-ethyl-5,7-dihydropyrrolo[3,4-d]pyrimidin-6-yl)propan-1-one
CID 56754351
methyl 5-[(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)methyl]-3-methylfuran-2-carboxylate
CID 86895729
2-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 110019829
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]propanamide
CID 96522187
(2S)-N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(piperidine-1-carbonyl)piperazin-1-yl]propanamide
CID 95568099
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]propanamide
CID 86916273
2-ethyl-6-propan-2-yl-5,7-dihydropyrrolo[3,4-d]pyrimidine
CID 164923785
(2S)-2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 30720422
N-(3-methyl-1,2-oxazol-5-yl)-2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]propanamide
CID 55916540

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of 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) is 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide is CCc1ncc2c(n1)CN(C(C)C(=O)Nc1cc(C)no1)CC2.
What is the InChIKey of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is WFBXPORFPIWZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-4-14-17-8-12-5-6-21(9-13(12)18-14)11(3)16(22)19-15-7-10(2)20-23-15/h7-8,11H,4-6,9H2,1-3H3,(H,19,22).
What are the key properties of 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide?
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 315.38 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(3-methyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 56781685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).