N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide

C24H25N5O4S — CID 175473879

IUPACN-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide
SMILESCOC1CN(c2cncc(-c3ccc(C(=O)NCc4cc(S(=O)(=O)C5CC5)ccn4)cc3)n2)C1
InChIInChI=1S/C24H25N5O4S/c1-33-19-14-29(15-19)23-13-25-12-22(28-23)16-2-4-17(5-3-16)24(30)27-11-18-10-21(8-9-26-18)34(31,32)20-6-7-20/h2-5,8-10,12-13,19-20H,6-7,11,14-15H2,1H3,(H,27,30)
InChIKeyGQEYXGMTEZUNJJ-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.24
Rot. Bonds8

About N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide

N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide (PubChem CID 175473879) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide.

Molecular Properties

Compound NameN-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide
PubChem CID175473879
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC NameN-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide
SMILESCOC1CN(c2cncc(-c3ccc(C(=O)NCc4cc(S(=O)(=O)C5CC5)ccn4)cc3)n2)C1
InChIInChI=1S/C24H25N5O4S/c1-33-19-14-29(15-19)23-13-25-12-22(28-23)16-2-4-17(5-3-16)24(30)27-11-18-10-21(8-9-26-18)34(31,32)20-6-7-20/h2-5,8-10,12-13,19-20H,6-7,11,14-15H2,1H3,(H,27,30)
InChIKeyGQEYXGMTEZUNJJ-UHFFFAOYSA-N
XLogP2.24
TPSA114.38 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide
CID 163271872
4-[6-[(3S)-3-methoxypyrrolidin-1-yl]pyrazin-2-yl]benzoic acid
CID 163271924
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271317
N-[[5-(cyclopropylsulfonylamino)-3-pyridinyl]methyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 163271297
N-[[6-(ethylamino)-2-methylpyrimidin-4-yl]methyl]-4-(3-methoxyazetidin-1-yl)benzamide
CID 177054960
N-[(6-cyclopropylsulfonylpyrimidin-4-yl)methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 175474005
4-[(3R)-3-methoxypyrrolidin-1-yl]-N-[(5-thiophen-3-yl-3-pyridinyl)methyl]benzamide
CID 99877599
4-(difluoromethyl)-N-[[2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]pyrazin-2-yl]-1,6-naphthyridin-7-yl]methyl]-3-methylsulfonylbenzamide
CID 170544628
4-(3-methoxypyrrolidin-1-yl)-N-(pyridin-4-ylmethyl)benzamide
CID 91813626
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 136518818
N-[3-[4-(cyclopropylsulfonylamino)pyrimidin-2-yl]-3-bicyclo[3.1.0]hexanyl]-4-(6-ethoxypyrazin-2-yl)benzamide
CID 177175415
N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163270971

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide?
The IUPAC name of N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide (CID 175473879) is N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide.
What is the SMILES notation for N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide?
The canonical SMILES for N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide is COC1CN(c2cncc(-c3ccc(C(=O)NCc4cc(S(=O)(=O)C5CC5)ccn4)cc3)n2)C1.
What is the InChIKey of N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide?
The InChIKey is GQEYXGMTEZUNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-33-19-14-29(15-19)23-13-25-12-22(28-23)16-2-4-17(5-3-16)24(30)27-11-18-10-21(8-9-26-18)34(31,32)20-6-7-20/h2-5,8-10,12-13,19-20H,6-7,11,14-15H2,1H3,(H,27,30).
What are the key properties of N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide?
N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide has a molecular weight of 479.56 g/mol, XLogP of 2.24, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclopropylsulfonyl-2-pyridinyl)methyl]-4-[6-(3-methoxyazetidin-1-yl)pyrazin-2-yl]benzamide is sourced from PubChem (CID 175473879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).