N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

C18H22N4O4S — CID 30902248

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H22N4O4S/c1-26-18-15(4-2-9-20-18)12-21-17(23)14-6-10-22(11-7-14)27(24,25)16-5-3-8-19-13-16/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,23)
InChIKeyHPHFHJAPXKBDMB-UHFFFAOYSA-N
MW390.47 g/mol
LogP1.20
Rot. Bonds6

About N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide

N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (PubChem CID 30902248) has the molecular formula C18H22N4O4S and a molecular weight of 390.47 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
PubChem CID30902248
Molecular FormulaC18H22N4O4S
Molecular Weight390.47 g/mol
Exact Mass390.14
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
SMILESCOc1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1
InChIInChI=1S/C18H22N4O4S/c1-26-18-15(4-2-9-20-18)12-21-17(23)14-6-10-22(11-7-14)27(24,25)16-5-3-8-19-13-16/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,23)
InChIKeyHPHFHJAPXKBDMB-UHFFFAOYSA-N
XLogP1.20
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.47
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-acetyl-N-[(2-methoxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 38533454
1-(4-methoxyphenyl)sulfonyl-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 55780518
N-[[2-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 46476797
N-(cyclobutylmethyl)-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 38653049
3-(azepan-1-ylsulfonyl)-N-[(2-methoxy-3-pyridinyl)methyl]benzamide
CID 38533968
1-(4-methylphenyl)sulfonyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 1077698
N-[[4-(methylcarbamoyl)phenyl]methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30902817
N-[2-(dimethylamino)-2-oxoethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30892596
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 56724154
2-methyl-3-[(1-pyridin-3-ylsulfonylpiperidine-4-carbonyl)amino]propanoic acid
CID 120525861
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide
CID 30885844
1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide (CID 30902248) is N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is COc1ncccc1CNC(=O)C1CCN(S(=O)(=O)c2cccnc2)CC1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
The InChIKey is HPHFHJAPXKBDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4S/c1-26-18-15(4-2-9-20-18)12-21-17(23)14-6-10-22(11-7-14)27(24,25)16-5-3-8-19-13-16/h2-5,8-9,13-14H,6-7,10-12H2,1H3,(H,21,23).
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide?
N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide has a molecular weight of 390.47 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide is sourced from PubChem (CID 30902248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).