N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide

C18H20N2O3S — CID 138027662

IUPACN-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide
SMILESCc1ccccc1CN(C(=O)c1ccc(S(C)(=O)=O)nc1)C1CC1
InChIInChI=1S/C18H20N2O3S/c1-13-5-3-4-6-15(13)12-20(16-8-9-16)18(21)14-7-10-17(19-11-14)24(2,22)23/h3-7,10-11,16H,8-9,12H2,1-2H3
InChIKeyGTTCPMVGDGWZPX-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.60
Rot. Bonds5

About N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide

N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide (PubChem CID 138027662) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide
PubChem CID138027662
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC NameN-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide
SMILESCc1ccccc1CN(C(=O)c1ccc(S(C)(=O)=O)nc1)C1CC1
InChIInChI=1S/C18H20N2O3S/c1-13-5-3-4-6-15(13)12-20(16-8-9-16)18(21)14-7-10-17(19-11-14)24(2,22)23/h3-7,10-11,16H,8-9,12H2,1-2H3
InChIKeyGTTCPMVGDGWZPX-UHFFFAOYSA-N
XLogP2.60
TPSA67.34 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-6-chloro-N-cyclopropylpyridine-3-carboxamide
CID 60738184
6-chloro-N-methyl-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 60631168
N-ethyl-N-(2-methyl-3-pyridinyl)-6-methylsulfonylpyridine-3-carboxamide
CID 138017482
N-cyclopropyl-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 37320361
2-amino-N-cyclopropyl-3-methyl-N-[(2-methylphenyl)methyl]butanamide
CID 77144458
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766
N-[(2-aminophenyl)methyl]-N-cyclopropylpyrimidine-5-carboxamide
CID 102921257
N-[(2-aminophenyl)methyl]-N-cyclopropylthiadiazole-4-carboxamide
CID 65214178
N-benzyl-N-cyclopropyl-2-methyl-4-methylsulfonylbenzamide
CID 171676502
N-benzyl-N-cyclopropyl-4-(methanesulfonamido)benzamide
CID 38253884
N-[(2-aminophenyl)methyl]-N-cyclopropyl-6-methylpyridine-2-carboxamide
CID 43460892
6-[methyl-[(2-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 61411567

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide (CID 138027662) is N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide is Cc1ccccc1CN(C(=O)c1ccc(S(C)(=O)=O)nc1)C1CC1.
What is the InChIKey of N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide?
The InChIKey is GTTCPMVGDGWZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13-5-3-4-6-15(13)12-20(16-8-9-16)18(21)14-7-10-17(19-11-14)24(2,22)23/h3-7,10-11,16H,8-9,12H2,1-2H3.
What are the key properties of N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide?
N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide has a molecular weight of 344.44 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N-[(2-methylphenyl)methyl]-6-methylsulfonylpyridine-3-carboxamide is sourced from PubChem (CID 138027662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).