N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide

C23H33N5O5S — CID 90680209

IUPACN-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCC1CCN(S(=O)(=O)NC(=O)NC[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1
InChIInChI=1S/C23H33N5O5S/c1-33-22-20(3-2-9-25-22)21(29)24-10-6-16-7-11-28(12-8-16)34(31,32)27-23(30)26-15-19-14-17-4-5-18(19)13-17/h2-5,9,16-19H,6-8,10-15H2,1H3,(H,24,29)(H2,26,27,30)/t17-,18-,19-/m1/s1
InChIKeyMQQJZPWSYVPWPF-GUDVDZBRSA-N
MW491.61 g/mol
LogP1.68
Rot. Bonds9

About N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide

N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide (PubChem CID 90680209) has the molecular formula C23H33N5O5S and a molecular weight of 491.61 g/mol. Its IUPAC name is N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide
PubChem CID90680209
Molecular FormulaC23H33N5O5S
Molecular Weight491.61 g/mol
Exact Mass491.22
IUPAC NameN-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCCC1CCN(S(=O)(=O)NC(=O)NC[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1
InChIInChI=1S/C23H33N5O5S/c1-33-22-20(3-2-9-25-22)21(29)24-10-6-16-7-11-28(12-8-16)34(31,32)27-23(30)26-15-19-14-17-4-5-18(19)13-17/h2-5,9,16-19H,6-8,10-15H2,1H3,(H,24,29)(H2,26,27,30)/t17-,18-,19-/m1/s1
InChIKeyMQQJZPWSYVPWPF-GUDVDZBRSA-N
XLogP1.68
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.61
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methylpyridine-3-carboxamide
CID 90680120
N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide
CID 90680118
N-[[(1R,2R,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-N'-(2-methoxy-3-pyridinyl)oxamide
CID 98231928
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
2-methoxy-N-(3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 62874313
N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 114148107
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113273848
2-methoxy-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-3-carboxamide
CID 134003012
2-methoxy-N-(3-piperidin-4-yloxypropyl)pyridine-3-carboxamide
CID 63869445
2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide (CID 90680209) is N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NCCC1CCN(S(=O)(=O)NC(=O)NC[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1.
What is the InChIKey of N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide?
The InChIKey is MQQJZPWSYVPWPF-GUDVDZBRSA-N. The full InChI is InChI=1S/C23H33N5O5S/c1-33-22-20(3-2-9-25-22)21(29)24-10-6-16-7-11-28(12-8-16)34(31,32)27-23(30)26-15-19-14-17-4-5-18(19)13-17/h2-5,9,16-19H,6-8,10-15H2,1H3,(H,24,29)(H2,26,27,30)/t17-,18-,19-/m1/s1.
What are the key properties of N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide?
N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide has a molecular weight of 491.61 g/mol, XLogP of 1.68, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[(1S,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 90680209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).