(2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

C22H22N4O2 — CID 7327170

IUPAC(2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)N[C@H](c1cccnc1)N2Cc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-15-11-18(14-28-2)19-21(24-15)26(13-16-7-4-3-5-8-16)20(25-22(19)27)17-9-6-10-23-12-17/h3-12,20H,13-14H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyOZJHTSSAKRARLP-FQEVSTJZSA-N
MW374.44 g/mol
LogP3.38
Rot. Bonds5

About (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one

(2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (PubChem CID 7327170) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
PubChem CID7327170
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC Name(2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
SMILESCOCc1cc(C)nc2c1C(=O)N[C@H](c1cccnc1)N2Cc1ccccc1
InChIInChI=1S/C22H22N4O2/c1-15-11-18(14-28-2)19-21(24-15)26(13-16-7-4-3-5-8-16)20(25-22(19)27)17-9-6-10-23-12-17/h3-12,20H,13-14H2,1-2H3,(H,25,27)/t20-/m0/s1
InChIKeyOZJHTSSAKRARLP-FQEVSTJZSA-N
XLogP3.38
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-benzyl-5-(methoxymethyl)-7-methyl-2-(5-methylfuran-2-yl)-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
CID 25300857
1-benzyl-2-(4-bromophenyl)-5,7-dimethyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
CID 5305915
2-(3,4-dichlorophenyl)-1-(4-fluorophenyl)-5-(methoxymethyl)-7-methyl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one
CID 5301765
(4R)-5-benzyl-4-ethyl-13-(methoxymethyl)-11-methyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-6-one
CID 92716931
(4R)-2-benzylimino-8-methyl-4-pyridin-3-yl-3,4-dihydro-1H-pyrimido[1,2-a][1,3,5]triazin-6-one
CID 135611244
(4S)-5-(furan-2-ylmethyl)-13-(methoxymethyl)-11-methyl-4-phenyl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(13),2(7),9,11-tetraen-6-one
CID 92670368
1-[2-(dimethylamino)ethyl]-2-pyridin-3-yl-2,3-dihydroquinazolin-4-one
CID 23623970
(2R)-3-(3-methoxypropyl)-2-pyridin-3-yl-1,2-dihydroquinazolin-4-one
CID 95167759
1-benzyl-5-pyridin-3-yl-5,6,8,8a-tetrahydro-4aH-pyrimido[4,5-d]pyrimidine-2,4,7-trione
CID 74925815
4-[(4-methoxyphenyl)methyl]-5-phenyl-5,6-dihydro-1H-pyrazolo[4,5-d]pyrimidin-7-one
CID 90104731
3-acetyl-1-benzyl-4-hydroxy-2-pyridin-3-yl-2H-pyrrol-5-one
CID 3151830
3-benzyl-2-(3-methoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 563542

Frequently Asked Questions

What is the IUPAC name of (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The IUPAC name of (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one (CID 7327170) is (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is COCc1cc(C)nc2c1C(=O)N[C@H](c1cccnc1)N2Cc1ccccc1.
What is the InChIKey of (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
The InChIKey is OZJHTSSAKRARLP-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-15-11-18(14-28-2)19-21(24-15)26(13-16-7-4-3-5-8-16)20(25-22(19)27)17-9-6-10-23-12-17/h3-12,20H,13-14H2,1-2H3,(H,25,27)/t20-/m0/s1.
What are the key properties of (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one?
(2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one has a molecular weight of 374.44 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-benzyl-5-(methoxymethyl)-7-methyl-2-pyridin-3-yl-2,3-dihydropyrido[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7327170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).