N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide

C26H35N5O2 — CID 92630130

IUPACN,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
SMILESCc1nc([C@H]2CCCN(CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1
InChIInChI=1S/C26H35N5O2/c1-19-22-13-14-23(32)31(16-7-11-20-9-5-4-6-10-20)26(22)28-25(27-19)21-12-8-15-30(17-21)18-24(33)29(2)3/h4-6,9-10,21H,7-8,11-18H2,1-3H3/t21-/m0/s1
InChIKeyZIFVEUQOTSIYQN-NRFANRHFSA-N
MW449.60 g/mol
LogP2.96
Rot. Bonds7

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

N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide (PubChem CID 92630130) has the molecular formula C26H35N5O2 and a molecular weight of 449.60 g/mol. Its IUPAC name is N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
PubChem CID92630130
Molecular FormulaC26H35N5O2
Molecular Weight449.60 g/mol
Exact Mass449.28
IUPAC NameN,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide
SMILESCc1nc([C@H]2CCCN(CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1
InChIInChI=1S/C26H35N5O2/c1-19-22-13-14-23(32)31(16-7-11-20-9-5-4-6-10-20)26(22)28-25(27-19)21-12-8-15-30(17-21)18-24(33)29(2)3/h4-6,9-10,21H,7-8,11-18H2,1-3H3/t21-/m0/s1
InChIKeyZIFVEUQOTSIYQN-NRFANRHFSA-N
XLogP2.96
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.60
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3R)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]propanamide
CID 92630139
2-[(3S)-1-(2,2-dimethylpropanoyl)piperidin-3-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92629265
4-methyl-8-(3-phenylpropyl)-2-[(3S)-piperidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124953697
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
4-methyl-2-[(2S)-1-(3-methylbutanoyl)pyrrolidin-2-yl]-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92630357
4-methyl-7-(3-phenylpropyl)-2-[(3R)-1-propanoylpiperidin-3-yl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 92631501
2-[(3S)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124949455
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
2-[1-(cyclopentanecarbonyl)piperidin-3-yl]-4-methyl-7-(3-phenylpropyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 110261843
2-[(3S)-1-(2-methoxyacetyl)pyrrolidin-3-yl]-4-methyl-8-(2-phenylethyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 124982743
2-[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]-4-methyl-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 92618661
8-benzyl-4-methyl-2-[1-(2-pyrrolidin-1-ylacetyl)pyrrolidin-3-yl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
CID 127249324

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide (CID 92630130) is N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide is Cc1nc([C@H]2CCCN(CC(=O)N(C)C)C2)nc2c1CCC(=O)N2CCCc1ccccc1.
What is the InChIKey of N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide?
The InChIKey is ZIFVEUQOTSIYQN-NRFANRHFSA-N. The full InChI is InChI=1S/C26H35N5O2/c1-19-22-13-14-23(32)31(16-7-11-20-9-5-4-6-10-20)26(22)28-25(27-19)21-12-8-15-30(17-21)18-24(33)29(2)3/h4-6,9-10,21H,7-8,11-18H2,1-3H3/t21-/m0/s1.
What are the key properties of N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide?
N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide has a molecular weight of 449.60 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(3S)-3-[4-methyl-7-oxo-8-(3-phenylpropyl)-5,6-dihydropyrido[2,3-d]pyrimidin-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 92630130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).