3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide

C30H34N6O2 — CID 140762334

IUPAC3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1
InChIInChI=1S/C30H34N6O2/c1-19-11-20(2)13-22(12-19)25-15-33-28-27(26(25)17-35(4)16-23-8-6-10-32-23)30(38)36(18-34-28)24-9-5-7-21(14-24)29(37)31-3/h5,7,9,11-15,18,23,32H,6,8,10,16-17H2,1-4H3,(H,31,37)/t23-/m0/s1
InChIKeyZVBSOPNLLOCCGU-QHCPKHFHSA-N
MW510.64 g/mol
LogP3.61
Rot. Bonds7

About 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide

3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide (PubChem CID 140762334) has the molecular formula C30H34N6O2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide
PubChem CID140762334
Molecular FormulaC30H34N6O2
Molecular Weight510.64 g/mol
Exact Mass510.27
IUPAC Name3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide
SMILESCNC(=O)c1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1
InChIInChI=1S/C30H34N6O2/c1-19-11-20(2)13-22(12-19)25-15-33-28-27(26(25)17-35(4)16-23-8-6-10-32-23)30(38)36(18-34-28)24-9-5-7-21(14-24)29(37)31-3/h5,7,9,11-15,18,23,32H,6,8,10,16-17H2,1-4H3,(H,31,37)/t23-/m0/s1
InChIKeyZVBSOPNLLOCCGU-QHCPKHFHSA-N
XLogP3.61
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.64
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide?
The IUPAC name of 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide (CID 140762334) is 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide.
What is the SMILES notation for 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide?
The canonical SMILES for 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide is CNC(=O)c1cccc(-n2cnc3ncc(-c4cc(C)cc(C)c4)c(CN(C)C[C@@H]4CCCN4)c3c2=O)c1.
What is the InChIKey of 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide?
The InChIKey is ZVBSOPNLLOCCGU-QHCPKHFHSA-N. The full InChI is InChI=1S/C30H34N6O2/c1-19-11-20(2)13-22(12-19)25-15-33-28-27(26(25)17-35(4)16-23-8-6-10-32-23)30(38)36(18-34-28)24-9-5-7-21(14-24)29(37)31-3/h5,7,9,11-15,18,23,32H,6,8,10,16-17H2,1-4H3,(H,31,37)/t23-/m0/s1.
What are the key properties of 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide?
3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide has a molecular weight of 510.64 g/mol, XLogP of 3.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(3,5-dimethylphenyl)-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]-4-oxopyrido[2,3-d]pyrimidin-3-yl]-N-methylbenzamide is sourced from PubChem (CID 140762334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).