3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide

C24H23N5OS — CID 24971386

IUPAC3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide
SMILESCSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(N)=O)cc3)nc2n1
InChIInChI=1S/C24H23N5OS/c1-31-24-27-15-19-13-20(17-5-3-2-4-6-17)22(28-23(19)29-24)18-9-7-16(8-10-18)14-26-12-11-21(25)30/h2-10,13,15,26H,11-12,14H2,1H3,(H2,25,30)
InChIKeyZIEOPLAPGXNRCU-UHFFFAOYSA-N
MW429.55 g/mol
LogP4.05
Rot. Bonds8

About 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide

3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide (PubChem CID 24971386) has the molecular formula C24H23N5OS and a molecular weight of 429.55 g/mol. Its IUPAC name is 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide.

Molecular Properties

Compound Name3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide
PubChem CID24971386
Molecular FormulaC24H23N5OS
Molecular Weight429.55 g/mol
Exact Mass429.16
IUPAC Name3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide
SMILESCSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(N)=O)cc3)nc2n1
InChIInChI=1S/C24H23N5OS/c1-31-24-27-15-19-13-20(17-5-3-2-4-6-17)22(28-23(19)29-24)18-9-7-16(8-10-18)14-26-12-11-21(25)30/h2-10,13,15,26H,11-12,14H2,1H3,(H2,25,30)
InChIKeyZIEOPLAPGXNRCU-UHFFFAOYSA-N
XLogP4.05
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-Amino-6-(2,6-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5328117
1-[2-Amino-6-(2,3,5,6-tetramethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5328125
N-[4-(benzylamino)pyrido[4,3-d]pyrimidin-7-yl]acetamide
CID 5328248
1-[2-Amino-6-(2,6-difluorophenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329115
1-[2-Amino-6-(2-methylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329118
1-[2-Amino-6-(2,3-dimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329120
1-[2-Amino-6-(2,4,6-trimethylphenyl)pyrido[2,3-d]pyrimidin-7-yl]-3-tert-butylurea
CID 5329122
3-Ethyl-1-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]urea
CID 11526364
2-acetamido-N-[1-({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]acetamide
CID 11534762
1-({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidine-4-carboxamide
CID 11547290
3-{[1-({4-[2-(Methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)piperidin-4-yl]formamido}propanamide
CID 11549190
[3-(4-Methylpiperazin-1-yl)propyl]({4-[2-(methylsulfanyl)-6-phenylpyrido[2,3-d]pyrimidin-7-yl]phenyl}methyl)amine
CID 11585287

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide?
The IUPAC name of 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide (CID 24971386) is 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide.
What is the SMILES notation for 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide?
The canonical SMILES for 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide is CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCC(N)=O)cc3)nc2n1.
What is the InChIKey of 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide?
The InChIKey is ZIEOPLAPGXNRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5OS/c1-31-24-27-15-19-13-20(17-5-3-2-4-6-17)22(28-23(19)29-24)18-9-7-16(8-10-18)14-26-12-11-21(25)30/h2-10,13,15,26H,11-12,14H2,1H3,(H2,25,30).
What are the key properties of 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide?
3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide has a molecular weight of 429.55 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-methylsulfanyl-6-phenylpyrido[2,3-d]pyrimidin-7-yl)phenyl]methylamino]propanamide is sourced from PubChem (CID 24971386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).