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

C19H23FN4O — CID 95612697

IUPAC(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCc1ncc2c(n1)CN([C@@H](C)C(=O)NCc1ccccc1F)CC2
InChIInChI=1S/C19H23FN4O/c1-3-18-21-11-15-8-9-24(12-17(15)23-18)13(2)19(25)22-10-14-6-4-5-7-16(14)20/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,22,25)/t13-/m0/s1
InChIKeyLMWHLBKKEVVGCU-ZDUSSCGKSA-N
MW342.42 g/mol
LogP2.24
Rot. Bonds5

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

(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide (PubChem CID 95612697) has the molecular formula C19H23FN4O and a molecular weight of 342.42 g/mol. Its IUPAC name is (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide
PubChem CID95612697
Molecular FormulaC19H23FN4O
Molecular Weight342.42 g/mol
Exact Mass342.19
IUPAC Name(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide
SMILESCCc1ncc2c(n1)CN([C@@H](C)C(=O)NCc1ccccc1F)CC2
InChIInChI=1S/C19H23FN4O/c1-3-18-21-11-15-8-9-24(12-17(15)23-18)13(2)19(25)22-10-14-6-4-5-7-16(14)20/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,22,25)/t13-/m0/s1
InChIKeyLMWHLBKKEVVGCU-ZDUSSCGKSA-N
XLogP2.24
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-[(2-fluorophenyl)methyl]-2-(4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-7-yl)propanamide
CID 137122917
(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 95758684
(2R)-N-[(2-fluorophenyl)methyl]-2-morpholin-4-ylpropanamide
CID 32807681
N-[(2-fluorophenyl)methyl]-2-[4-(1-hydroxyethyl)piperidin-1-yl]propanamide
CID 111113698
2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(4-methoxyphenyl)butanamide
CID 154748110
N-[(2-fluorophenyl)methyl]-2-[4-(hydroxymethyl)piperidin-1-yl]propanamide
CID 110899328
2-ethyl-7-(1-pyridin-3-ylethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
CID 56781669
(2R)-2-(3,4-dihydro-1H-isoquinolin-2-yl)-N-[(2-methoxyphenyl)methyl]propanamide
CID 9248409
(2S)-N-[(2-fluorophenyl)methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]propanamide
CID 100851383
2-[4-[2-(butan-2-ylamino)-2-oxoethyl]piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 134045480
(2R)-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2-fluorophenyl)methyl]propanamide
CID 92987715

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-[(2-fluorophenyl)methyl]propanamide?
The IUPAC name of (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide (CID 95612697) is (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The canonical SMILES for (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide is CCc1ncc2c(n1)CN([C@@H](C)C(=O)NCc1ccccc1F)CC2.
What is the InChIKey of (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide?
The InChIKey is LMWHLBKKEVVGCU-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H23FN4O/c1-3-18-21-11-15-8-9-24(12-17(15)23-18)13(2)19(25)22-10-14-6-4-5-7-16(14)20/h4-7,11,13H,3,8-10,12H2,1-2H3,(H,22,25)/t13-/m0/s1.
What are the key properties of (2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide?
(2S)-2-(2-ethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-[(2-fluorophenyl)methyl]propanamide has a molecular weight of 342.42 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 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-[(2-fluorophenyl)methyl]propanamide is sourced from PubChem (CID 95612697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).