N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide

C19H23N3O4S — CID 37484983

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ncccc1CNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O4S/c1-26-19-15(8-7-11-20-19)14-21-18(23)16-9-3-4-10-17(16)27(24,25)22-12-5-2-6-13-22/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,21,23)
InChIKeyPZFKWHLHFRYLPO-UHFFFAOYSA-N
MW389.48 g/mol
LogP2.19
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide

N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide (PubChem CID 37484983) has the molecular formula C19H23N3O4S and a molecular weight of 389.48 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
PubChem CID37484983
Molecular FormulaC19H23N3O4S
Molecular Weight389.48 g/mol
Exact Mass389.14
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ncccc1CNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C19H23N3O4S/c1-26-19-15(8-7-11-20-19)14-21-18(23)16-9-3-4-10-17(16)27(24,25)22-12-5-2-6-13-22/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,21,23)
InChIKeyPZFKWHLHFRYLPO-UHFFFAOYSA-N
XLogP2.19
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533968
2-piperidin-1-ylsulfonyl-N-(pyridin-3-ylmethyl)benzamide
CID 37172492
N-[2-(2-methoxyphenyl)ethyl]-2-piperidin-1-ylsulfonylbenzamide
CID 55338519
2-iodo-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533778
2-amino-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 61213958
N-[(4-methylphenyl)methyl]-2-piperidin-1-ylsulfonylbenzamide
CID 26119072
4-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38534496
N-[(2-methoxy-3-pyridinyl)methyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 37486420
N-[(2-hydroxyphenyl)methyl]-2-methoxypyridine-3-carboxamide
CID 115598782
N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902248
2-methoxy-N-[(2-methylphenyl)methyl]pyridine-3-carboxamide
CID 110850721
N-(2-hydroxyethyl)-2-piperidin-1-ylsulfonylbenzamide
CID 78794594

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide (CID 37484983) is N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide is COc1ncccc1CNC(=O)c1ccccc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
The InChIKey is PZFKWHLHFRYLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S/c1-26-19-15(8-7-11-20-19)14-21-18(23)16-9-3-4-10-17(16)27(24,25)22-12-5-2-6-13-22/h3-4,7-11H,2,5-6,12-14H2,1H3,(H,21,23).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide?
N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide has a molecular weight of 389.48 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-2-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 37484983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).