N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide

C19H20N4O3S — CID 43072017

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cn2)n1
InChIInChI=1S/C19H20N4O3S/c1-13-9-14(2)23(22-13)18-8-7-17(11-20-18)21-19(24)16-6-4-5-15(10-16)12-27(3,25)26/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeySECXIFKQESNPKF-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.68
Rot. Bonds5

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 43072017) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID43072017
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cn2)n1
InChIInChI=1S/C19H20N4O3S/c1-13-9-14(2)23(22-13)18-8-7-17(11-20-18)21-19(24)16-6-4-5-15(10-16)12-27(3,25)26/h4-11H,12H2,1-3H3,(H,21,24)
InChIKeySECXIFKQESNPKF-UHFFFAOYSA-N
XLogP2.68
TPSA93.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide
CID 26126263
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(pyrimidin-2-ylamino)benzamide
CID 46431681
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 31907855
3,5-dichloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]benzamide
CID 31923949
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38420472
N-(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)-3-(methylsulfonylmethyl)benzamide
CID 31520473
6-(aminomethyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 166362530
N-(3,5-dimethylphenyl)-3-(methylsulfonylmethyl)benzamide
CID 7668726
4-bromo-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 46402927
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-iodobenzamide
CID 31923974
5-chloro-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]thiophene-2-carboxamide
CID 31908021

Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide (CID 43072017) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide is Cc1cc(C)n(-c2ccc(NC(=O)c3cccc(CS(C)(=O)=O)c3)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is SECXIFKQESNPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-13-9-14(2)23(22-13)18-8-7-17(11-20-18)21-19(24)16-6-4-5-15(10-16)12-27(3,25)26/h4-11H,12H2,1-3H3,(H,21,24).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 384.46 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 43072017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).