N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

C26H35N5O2 — CID 92630575

IUPACN,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2
InChIInChI=1S/C26H35N5O2/c1-4-29(5-2)24(33)18-30-16-9-12-22(30)25-27-19(3)21-13-14-23(32)31(26(21)28-25)17-15-20-10-7-6-8-11-20/h6-8,10-11,22H,4-5,9,12-18H2,1-3H3/t22-/m0/s1
InChIKeyYXBNHXISZGDYAC-QFIPXVFZSA-N
MW449.60 g/mol
LogP3.31
Rot. Bonds8

About N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide

N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (PubChem CID 92630575) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
PubChem CID92630575
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2
InChIInChI=1S/C26H35N5O2/c1-4-29(5-2)24(33)18-30-16-9-12-22(30)25-27-19(3)21-13-14-23(32)31(26(21)28-25)17-15-20-10-7-6-8-11-20/h6-8,10-11,22H,4-5,9,12-18H2,1-3H3/t22-/m0/s1
InChIKeyYXBNHXISZGDYAC-QFIPXVFZSA-N
XLogP3.31
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-2-[(2S)-2-[4-methyl-8-(3-methylbutyl)-7-oxo-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide
CID 95831231
4-methyl-8-(2-phenylethyl)-2-[(2R)-1-propanoylpiperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629786
4-methyl-2-[(2R)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630439
4-methyl-2-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630438
2-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618661
2-[(2S)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630896
2-[(2R)-1-cyclohexylpiperidin-2-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630897
8-benzyl-4-methyl-2-[(2R)-1-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-2-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629769
N-[2-[(2R)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]-2-oxoethyl]acetamide
CID 92630420
4-methyl-2-[(2S)-1-(1-methylpyrazole-4-carbonyl)pyrrolidin-2-yl]-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630368
4-methyl-2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630357
2-[(2S)-1-(2-hydroxy-2-methylpropanoyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 95831226

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide (CID 92630575) is N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is CCN(CC)C(=O)CN1CCC[C@H]1c1nc(C)c2c(n1)N(CCc1ccccc1)C(=O)CC2.
What is the InChIKey of N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
The InChIKey is YXBNHXISZGDYAC-QFIPXVFZSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-4-29(5-2)24(33)18-30-16-9-12-22(30)25-27-19(3)21-13-14-23(32)31(26(21)28-25)17-15-20-10-7-6-8-11-20/h6-8,10-11,22H,4-5,9,12-18H2,1-3H3/t22-/m0/s1.
What are the key properties of N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide?
N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide has a molecular weight of 449.60 g/mol, XLogP of 3.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(2S)-2-[4-methyl-7-oxo-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 92630575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).