N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide

C24H29FN4O3 — CID 110260504

IUPACN-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCc1nc(CN(C)C(=O)CCC2CCCO2)nc2c1CCC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C24H29FN4O3/c1-16-20-10-12-23(31)29(14-17-5-7-18(25)8-6-17)24(20)27-21(26-16)15-28(2)22(30)11-9-19-4-3-13-32-19/h5-8,19H,3-4,9-15H2,1-2H3
InChIKeyDGYVIDYEHNEUJO-UHFFFAOYSA-N
MW440.52 g/mol
LogP3.32
Rot. Bonds7

About N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide

N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide (PubChem CID 110260504) has the molecular formula C24H29FN4O3 and a molecular weight of 440.52 g/mol. Its IUPAC name is N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide.

Molecular Properties

Compound NameN-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
PubChem CID110260504
Molecular FormulaC24H29FN4O3
Molecular Weight440.52 g/mol
Exact Mass440.22
IUPAC NameN-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
SMILESCc1nc(CN(C)C(=O)CCC2CCCO2)nc2c1CCC(=O)N2Cc1ccc(F)cc1
InChIInChI=1S/C24H29FN4O3/c1-16-20-10-12-23(31)29(14-17-5-7-18(25)8-6-17)24(20)27-21(26-16)15-28(2)22(30)11-9-19-4-3-13-32-19/h5-8,19H,3-4,9-15H2,1-2H3
InChIKeyDGYVIDYEHNEUJO-UHFFFAOYSA-N
XLogP3.32
TPSA75.63 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.52
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-[(2S)-oxolan-2-yl]acetamide
CID 92620167
N-[[8-(cyclopropylmethyl)-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-2-phenoxyacetamide
CID 92619761
8-[(4-fluorophenyl)methyl]-2-[1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110260892
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-(2-methylpropanoyl)piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629298
8-[(4-fluorophenyl)methyl]-4-methyl-2-[1-(pyridine-3-carbonyl)pyrrolidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 110267500
4-(4-fluorophenyl)-N-methyl-N-[3-(oxolan-2-yl)propyl]butanamide
CID 135108533
4-methyl-8-(oxolan-2-ylmethyl)-2-pyridin-4-yl-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 53193780
(2S)-N-[[8-[(3-methoxyphenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methylspiro[2.3]hexane-2-carboxamide
CID 92620206
8-[(4-fluorophenyl)methyl]-4-methyl-2-[(3S)-1-methylsulfonylpiperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629310
N-[[3-(aminomethyl)phenyl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide
CID 65152460
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[2-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 30895093
1-[(4-fluorophenyl)methyl]-1-methyl-3-[4-(oxolan-2-yl)butan-2-yl]urea
CID 60613955

Frequently Asked Questions

What is the IUPAC name of N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide?
The IUPAC name of N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide (CID 110260504) is N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide.
What is the SMILES notation for N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide?
The canonical SMILES for N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide is Cc1nc(CN(C)C(=O)CCC2CCCO2)nc2c1CCC(=O)N2Cc1ccc(F)cc1.
What is the InChIKey of N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide?
The InChIKey is DGYVIDYEHNEUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN4O3/c1-16-20-10-12-23(31)29(14-17-5-7-18(25)8-6-17)24(20)27-21(26-16)15-28(2)22(30)11-9-19-4-3-13-32-19/h5-8,19H,3-4,9-15H2,1-2H3.
What are the key properties of N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide?
N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide has a molecular weight of 440.52 g/mol, XLogP of 3.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[8-[(4-fluorophenyl)methyl]-4-methyl-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]methyl]-N-methyl-3-(oxolan-2-yl)propanamide is sourced from PubChem (CID 110260504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).