N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide

C20H18N6O3S — CID 68906722

IUPACN-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(C(=O)c3cn(C)c4ncnc(N)c34)c2)cc1
InChIInChI=1S/C20H18N6O3S/c1-12-3-5-15(6-4-12)30(28,29)25-14-7-13(8-22-9-14)18(27)16-10-26(2)20-17(16)19(21)23-11-24-20/h3-11,25H,1-2H3,(H2,21,23,24)
InChIKeyFZKFWNCELNRNKX-UHFFFAOYSA-N
MW422.47 g/mol
LogP2.29
Rot. Bonds5

About N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide

N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide (PubChem CID 68906722) has the molecular formula C20H18N6O3S and a molecular weight of 422.47 g/mol. Its IUPAC name is N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide
PubChem CID68906722
Molecular FormulaC20H18N6O3S
Molecular Weight422.47 g/mol
Exact Mass422.12
IUPAC NameN-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cncc(C(=O)c3cn(C)c4ncnc(N)c34)c2)cc1
InChIInChI=1S/C20H18N6O3S/c1-12-3-5-15(6-4-12)30(28,29)25-14-7-13(8-22-9-14)18(27)16-10-26(2)20-17(16)19(21)23-11-24-20/h3-11,25H,1-2H3,(H2,21,23,24)
InChIKeyFZKFWNCELNRNKX-UHFFFAOYSA-N
XLogP2.29
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.47
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-chloro-4-methylbenzenesulfonamide
CID 68904187
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-(3,5-difluorophenyl)urea
CID 68903840
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-(4-chlorophenyl)urea
CID 68907412
1-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-3-cyclohexylurea
CID 68907389
N-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 67219893
1-[3-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-phenylurea
CID 67219113
N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3,4-dichlorobenzenesulfonamide
CID 67219689
N-(2,3-dimethylphenyl)-5-[(4-methylphenyl)sulfonylamino]pyridine-3-carboxamide
CID 7161193
N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-chloro-2-methylbenzenesulfonamide
CID 10413042
N-[3-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-chloro-2-methylbenzenesulfonamide
CID 67219214
N-[5-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-2-methoxyphenyl]-3-methylbenzenesulfonamide
CID 67219596
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide (CID 68906722) is N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cncc(C(=O)c3cn(C)c4ncnc(N)c34)c2)cc1.
What is the InChIKey of N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide?
The InChIKey is FZKFWNCELNRNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3S/c1-12-3-5-15(6-4-12)30(28,29)25-14-7-13(8-22-9-14)18(27)16-10-26(2)20-17(16)19(21)23-11-24-20/h3-11,25H,1-2H3,(H2,21,23,24).
What are the key properties of N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide?
N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide has a molecular weight of 422.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-amino-7-methylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 68906722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).