N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide

C23H33N5O4S — CID 90680118

IUPACN-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCC2CCN(S(=O)(=O)NC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)n1
InChIInChI=1S/C23H33N5O4S/c1-16-3-2-4-21(26-16)22(29)24-10-7-17-8-11-28(12-9-17)33(31,32)27-23(30)25-15-20-14-18-5-6-19(20)13-18/h2-6,17-20H,7-15H2,1H3,(H,24,29)(H2,25,27,30)/t18-,19-,20+/m1/s1
InChIKeyDNIYMEDDKVXNHD-AQNXPRMDSA-N
MW475.62 g/mol
LogP1.98
Rot. Bonds8

About N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide

N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide (PubChem CID 90680118) has the molecular formula C23H33N5O4S and a molecular weight of 475.62 g/mol. Its IUPAC name is N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide
PubChem CID90680118
Molecular FormulaC23H33N5O4S
Molecular Weight475.62 g/mol
Exact Mass475.23
IUPAC NameN-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCCC2CCN(S(=O)(=O)NC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)n1
InChIInChI=1S/C23H33N5O4S/c1-16-3-2-4-21(26-16)22(29)24-10-7-17-8-11-28(12-9-17)33(31,32)27-23(30)25-15-20-14-18-5-6-19(20)13-18/h2-6,17-20H,7-15H2,1H3,(H,24,29)(H2,25,27,30)/t18-,19-,20+/m1/s1
InChIKeyDNIYMEDDKVXNHD-AQNXPRMDSA-N
XLogP1.98
TPSA120.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.62
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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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,2S,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-2-methoxypyridine-3-carboxamide
CID 90680209
6-(2-cyclobutylethylcarbamoyl)pyridine-2-carboxylic acid
CID 113479299
6-methyl-N-(pyrrolidin-3-ylmethyl)pyridine-2-carboxamide
CID 80564489
N-[2-[4-(2-bicyclo[2.2.1]hept-5-enylmethylcarbamoylsulfamoyl)phenyl]ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 54205300
N-[(1,1-dioxothiolan-3-yl)methyl]-6-methylpyridine-2-carboxamide
CID 47157029
6-methyl-N-[2-[(1R,2R)-2-methylcyclohexyl]oxyethyl]pyridine-2-carboxamide
CID 51948701
4-(aminomethyl)-N-(6-methyl-2-pyridinyl)piperidine-1-sulfonamide
CID 106086848
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 50959463
N-[2-[(1S,2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]ethyl]-2-propan-2-yl-1,3-thiazole-4-carboxamide
CID 91833858
1,3-bis[(4-propylpiperidin-1-yl)sulfonyl]urea
CID 134126316
N-[2-(1-sulfamoylpiperidin-4-yl)ethyl]benzamide
CID 69135491

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of 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) is N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCCC2CCN(S(=O)(=O)NC(=O)NC[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)n1.
What is the InChIKey of N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide?
The InChIKey is DNIYMEDDKVXNHD-AQNXPRMDSA-N. The full InChI is InChI=1S/C23H33N5O4S/c1-16-3-2-4-21(26-16)22(29)24-10-7-17-8-11-28(12-9-17)33(31,32)27-23(30)25-15-20-14-18-5-6-19(20)13-18/h2-6,17-20H,7-15H2,1H3,(H,24,29)(H2,25,27,30)/t18-,19-,20+/m1/s1.
What are the key properties of N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide?
N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide has a molecular weight of 475.62 g/mol, XLogP of 1.98, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[[(1S,2R,4R)-2-bicyclo[2.2.1]hept-5-enyl]methylcarbamoylsulfamoyl]piperidin-4-yl]ethyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 90680118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).