N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide

C25H25N5OS — CID 57396650

IUPACN-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide
SMILESCCCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(NC(C)=O)cc3)ncnc2n1
InChIInChI=1S/C25H25N5OS/c1-4-5-18-9-12-21-24(29-18)26-15-27-25(21)30-22-14-16(2)6-13-23(22)32-20-10-7-19(8-11-20)28-17(3)31/h6-15H,4-5H2,1-3H3,(H,28,31)(H,26,27,29,30)
InChIKeyBRYSQEGXTPGNRP-UHFFFAOYSA-N
MW443.58 g/mol
LogP6.14
Rot. Bonds7

About N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide

N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide (PubChem CID 57396650) has the molecular formula C25H25N5OS and a molecular weight of 443.58 g/mol. Its IUPAC name is N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide
PubChem CID57396650
Molecular FormulaC25H25N5OS
Molecular Weight443.58 g/mol
Exact Mass443.18
IUPAC NameN-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide
SMILESCCCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(NC(C)=O)cc3)ncnc2n1
InChIInChI=1S/C25H25N5OS/c1-4-5-18-9-12-21-24(29-18)26-15-27-25(21)30-22-14-16(2)6-13-23(22)32-20-10-7-19(8-11-20)28-17(3)31/h6-15H,4-5H2,1-3H3,(H,28,31)(H,26,27,29,30)
InChIKeyBRYSQEGXTPGNRP-UHFFFAOYSA-N
XLogP6.14
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.58
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-methyl-N-(5-methyl-2-phenylsulfanyl-phenyl)-1,8-naphthyridin-4-amine
CID 16214862
N-(5-methyl-2-phenylsulfanyl-phenyl)-7-propyl-pyrido[2,3-d]pyrimidin-4-amine
CID 57400083
4-(4-aminophenyl)sulfanyl-N-[(1S)-1-(4-fluorophenyl)ethyl]-3-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 67040405
3-[(7-isopropylpyrido[2,3-d]pyrimidin-4-yl)amino]-4-[4-(methanesulfonamido)phenyl]sulfanyl-N-[(1S)-1-phenylethyl]benzamide
CID 67040463
4-(4-aminophenyl)sulfanyl-N-[1-(2-fluorophenyl)ethyl]-3-[(7-isopropylpyrido[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 67040475
4-(4-aminophenyl)sulfanyl-N-[(1S)-1-naphthalen-2-ylethyl]-3-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 67040519
4-(4-aminophenyl)sulfanyl-N-[(1R)-indan-1-yl]-3-[(7-isopropylpyrido[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 67040575
4-(4-aminophenyl)sulfanyl-3-[(7-isopropylpyrido[2,3-d]pyrimidin-4-yl)amino]-N-[(1R)-1-phenylpropyl]benzamide
CID 67040579
4-(4-aminophenyl)sulfanyl-3-[(7-isopropylpyrido[2,3-d]pyrimidin-4-yl)amino]-N-(1-methyl-1-phenyl-ethyl)benzamide
CID 67040637
4-(4-aminophenyl)sulfanyl-N-[(1S)-1-(2-bromophenyl)ethyl]-3-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 67040663
4-(4-aminophenyl)sulfanyl-N-[(1S)-1-(4-bromophenyl)ethyl]-3-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 67040668
4-(4-aminophenyl)sulfanyl-N-[(1S)-1-(4-methylphenyl)ethyl]-3-[(7-propan-2-ylpyrido[2,3-d]pyrimidin-4-yl)amino]benzamide
CID 67040678

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide?
The IUPAC name of N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide (CID 57396650) is N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide is CCCc1ccc2c(Nc3cc(C)ccc3Sc3ccc(NC(C)=O)cc3)ncnc2n1.
What is the InChIKey of N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide?
The InChIKey is BRYSQEGXTPGNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5OS/c1-4-5-18-9-12-21-24(29-18)26-15-27-25(21)30-22-14-16(2)6-13-23(22)32-20-10-7-19(8-11-20)28-17(3)31/h6-15H,4-5H2,1-3H3,(H,28,31)(H,26,27,29,30).
What are the key properties of N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide?
N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide has a molecular weight of 443.58 g/mol, XLogP of 6.14, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-methyl-2-[(7-propylpyrido[2,3-d]pyrimidin-4-yl)amino]phenyl]sulfanylphenyl]acetamide is sourced from PubChem (CID 57396650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).