N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide

C21H22N4O2S — CID 169024748

IUPACN-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide
SMILESCc1ccc(N)cc1-c1cc(-c2ccnc(NS(C)(=O)=O)c2)nc(C2CC2)c1
InChIInChI=1S/C21H22N4O2S/c1-13-3-6-17(22)12-18(13)16-9-19(14-4-5-14)24-20(10-16)15-7-8-23-21(11-15)25-28(2,26)27/h3,6-12,14H,4-5,22H2,1-2H3,(H,23,25)
InChIKeyYAEQDFJEHXVTDZ-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.95
Rot. Bonds5

About N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide

N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide (PubChem CID 169024748) has the molecular formula C21H22N4O2S and a molecular weight of 394.50 g/mol. Its IUPAC name is N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide
PubChem CID169024748
Molecular FormulaC21H22N4O2S
Molecular Weight394.50 g/mol
Exact Mass394.15
IUPAC NameN-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide
SMILESCc1ccc(N)cc1-c1cc(-c2ccnc(NS(C)(=O)=O)c2)nc(C2CC2)c1
InChIInChI=1S/C21H22N4O2S/c1-13-3-6-17(22)12-18(13)16-9-19(14-4-5-14)24-20(10-16)15-7-8-23-21(11-15)25-28(2,26)27/h3,6-12,14H,4-5,22H2,1-2H3,(H,23,25)
InChIKeyYAEQDFJEHXVTDZ-UHFFFAOYSA-N
XLogP3.95
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(5-amino-2-methylphenyl)-2-pyridinyl]-N-cyclopropylpyridine-2-carboxamide
CID 168928933
methyl N-[4-[2-(5-amino-2-methylphenyl)pyrimidin-4-yl]-2-pyridinyl]carbamate
CID 168929213
N-[4-[6-(5-amino-2-methylphenyl)-2-methyl-3-oxopyridazin-4-yl]-2-pyridinyl]acetamide
CID 168929025
2-cyclopropyl-4-(5-fluoro-2-methylphenyl)-6-methylpyridine
CID 123665063
N-[4-[2-(pyrazin-2-ylamino)-4-pyridinyl]-2-pyridinyl]methanesulfonamide
CID 145071787
3-[2-(2-fluoromorpholin-4-yl)-4-pyridinyl]-4-methylaniline
CID 174762954
N-[3-[2-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-pyridinyl]-4-methylphenyl]-5-cyclopropylpyridazine-3-carboxamide
CID 176572347
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]ethanol
CID 168928493
3-(4-cyclobutylphenyl)-4-methylaniline
CID 116506514
4-methyl-3-quinolin-6-ylaniline
CID 81224667
4-methyl-3-(2-methylpyrimidin-5-yl)aniline
CID 170431309
N-[4-(2,2-dimethylpropyl)-2-pyridinyl]methanesulfonamide
CID 129191304

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide (CID 169024748) is N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide is Cc1ccc(N)cc1-c1cc(-c2ccnc(NS(C)(=O)=O)c2)nc(C2CC2)c1.
What is the InChIKey of N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is YAEQDFJEHXVTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2S/c1-13-3-6-17(22)12-18(13)16-9-19(14-4-5-14)24-20(10-16)15-7-8-23-21(11-15)25-28(2,26)27/h3,6-12,14H,4-5,22H2,1-2H3,(H,23,25).
What are the key properties of N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide?
N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 394.50 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(5-amino-2-methylphenyl)-6-cyclopropyl-2-pyridinyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 169024748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).