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

C19H22FN5O2 — CID 56863265

IUPAC3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide
SMILESCC(=O)N1CCc2c(nc(C)nc2NCCC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN5O2/c1-12-22-17-11-25(13(2)26)10-8-16(17)19(23-12)21-9-7-18(27)24-15-5-3-14(20)4-6-15/h3-6H,7-11H2,1-2H3,(H,24,27)(H,21,22,23)
InChIKeyUTDZWBFGSZTLRR-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.27
Rot. Bonds5

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

3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide (PubChem CID 56863265) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide
PubChem CID56863265
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide
SMILESCC(=O)N1CCc2c(nc(C)nc2NCCC(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C19H22FN5O2/c1-12-22-17-11-25(13(2)26)10-8-16(17)19(23-12)21-9-7-18(27)24-15-5-3-14(20)4-6-15/h3-6H,7-11H2,1-2H3,(H,24,27)(H,21,22,23)
InChIKeyUTDZWBFGSZTLRR-UHFFFAOYSA-N
XLogP2.27
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-[(4-fluorophenyl)methylamino]-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70780138
3-(4-acetylpiperazin-1-yl)-N-(4-fluorophenyl)-3-oxopropanamide
CID 108944941
3-(4-acetylanilino)-N-(4-fluorophenyl)propanamide
CID 109037659
1-[4-(2-hydroxyethylamino)-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 70724655
1-[2-methyl-4-(2-pyridin-2-ylsulfanylethylamino)-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 50979593
N-[2-[(7-acetyl-2-pyridin-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]ethyl]acetamide
CID 70727327
4-fluoro-N-[3-[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]propyl]benzamide
CID 133460629
ethyl 3-[2-(4-fluoroanilino)-2-oxoethyl]-2-(4-methylphenyl)-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 53031321
N-(4-fluorophenyl)-3-(4-pyrrolidin-1-ylanilino)propanamide
CID 109037669
1-[4-(hexylamino)-2-pyridin-3-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56874581
1-[4-[[(2S)-2-hydroxy-3-methoxypropyl]amino]-2-methyl-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-7-yl]ethanone
CID 95144045
[4-[2-(2-chlorophenyl)ethylamino]-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-pyridin-3-ylmethanone;dihydrochloride
CID 142062198

Frequently Asked Questions

What is the IUPAC name of 3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide (CID 56863265) is 3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide is CC(=O)N1CCc2c(nc(C)nc2NCCC(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of 3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide?
The InChIKey is UTDZWBFGSZTLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-12-22-17-11-25(13(2)26)10-8-16(17)19(23-12)21-9-7-18(27)24-15-5-3-14(20)4-6-15/h3-6H,7-11H2,1-2H3,(H,24,27)(H,21,22,23).
What are the key properties of 3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide?
3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide has a molecular weight of 371.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(7-acetyl-2-methyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl)amino]-N-(4-fluorophenyl)propanamide is sourced from PubChem (CID 56863265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).