N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide

C20H22N2O2 — CID 135023767

IUPACN-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide
SMILESCOc1ccc(C2CC3CC(NC(=O)c4ccccn4)C2C3)cc1
InChIInChI=1S/C20H22N2O2/c1-24-15-7-5-14(6-8-15)16-10-13-11-17(16)19(12-13)22-20(23)18-4-2-3-9-21-18/h2-9,13,16-17,19H,10-12H2,1H3,(H,22,23)
InChIKeyWRXCWKTXSITSEF-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.40
Rot. Bonds4

About N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide

N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide (PubChem CID 135023767) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide
PubChem CID135023767
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide
SMILESCOc1ccc(C2CC3CC(NC(=O)c4ccccn4)C2C3)cc1
InChIInChI=1S/C20H22N2O2/c1-24-15-7-5-14(6-8-15)16-10-13-11-17(16)19(12-13)22-20(23)18-4-2-3-9-21-18/h2-9,13,16-17,19H,10-12H2,1H3,(H,22,23)
InChIKeyWRXCWKTXSITSEF-UHFFFAOYSA-N
XLogP3.40
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ave-0118
CID 9811357
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
7-fluoro-3-[4-[4-(4-methoxybenzoyl)piperidin-1-yl]-4-oxobutyl]-2H-pyrrolo[1,2-a]pyrazin-1-one
CID 118498266
N-[2-(4-methoxyphenyl)ethyl]-1-methyl-2-pyrrolecarboxamide
CID 24820011
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-3-yl)propanamide
CID 23648324
(2S)-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(3-methylphenyl)formamido]-3-(pyridin-4-yl)propanamide
CID 23648325
N-[2-[(3-methoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2984987
N-{3-[(4-methoxybenzoyl)amino]propyl}-2-pyridinecarboxamide
CID 2988566
N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(2-methyl-4-pyridinyl)benzamide
CID 68512374
HIF-1 inhibitor-1
CID 139600307
US10689357, Example 18
CID 146249076
US10689357, Example 19
CID 146249102

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide (CID 135023767) is N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide is COc1ccc(C2CC3CC(NC(=O)c4ccccn4)C2C3)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
The InChIKey is WRXCWKTXSITSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-24-15-7-5-14(6-8-15)16-10-13-11-17(16)19(12-13)22-20(23)18-4-2-3-9-21-18/h2-9,13,16-17,19H,10-12H2,1H3,(H,22,23).
What are the key properties of N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-methoxyphenyl)-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide is sourced from PubChem (CID 135023767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).