N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide

C23H28N2O2 — CID 135008712

IUPACN-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide
SMILESCOc1ccc(C2CC3CC(NC(=O)c4ccccn4)C2(C)C3(C)C)cc1
InChIInChI=1S/C23H28N2O2/c1-22(2)16-13-18(15-8-10-17(27-4)11-9-15)23(22,3)20(14-16)25-21(26)19-7-5-6-12-24-19/h5-12,16,18,20H,13-14H2,1-4H3,(H,25,26)
InChIKeyQETLHNXQTNYTMZ-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.43
Rot. Bonds4

About N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide

N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide (PubChem CID 135008712) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide
PubChem CID135008712
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide
SMILESCOc1ccc(C2CC3CC(NC(=O)c4ccccn4)C2(C)C3(C)C)cc1
InChIInChI=1S/C23H28N2O2/c1-22(2)16-13-18(15-8-10-17(27-4)11-9-15)23(22,3)20(14-16)25-21(26)19-7-5-6-12-24-19/h5-12,16,18,20H,13-14H2,1-4H3,(H,25,26)
InChIKeyQETLHNXQTNYTMZ-UHFFFAOYSA-N
XLogP4.43
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide with MolForge

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Related Compounds

N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
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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
N-[4-[(1R,5R)-5-amino-3,3-dimethylcyclohexyl]-3-pyridinyl]-6-(2,6-difluoro-4-methoxyphenyl)-5-fluoropyridine-2-carboxamide
CID 46178612
N-[(2,7-dimethoxyfluoren-9-ylidene)amino]pyridine-2-carboxamide
CID 1934924
N-[(2S)-1-[2-(4-methoxyanilino)ethylamino]-4-methyl-1-oxopentan-2-yl]-5-propan-2-ylpyridine-2-carboxamide
CID 10960899
3''-Methoxy-biphenyl-4-carboxylic acid (1-methyl-4-pyridin-3-yl-butyl)-amide
CID 14570083
[(1R)-1-[[(2S)-2-[[(2S)-2-[(5-fluoropyridine-2-carbonyl)amino]-3-(4-methoxyphenyl)propanoyl]amino]-3-methylbutanoyl]amino]-2-(4-methoxyphenyl)ethyl]boronic acid
CID 46946264

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide (CID 135008712) is N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide is COc1ccc(C2CC3CC(NC(=O)c4ccccn4)C2(C)C3(C)C)cc1.
What is the InChIKey of N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
The InChIKey is QETLHNXQTNYTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-22(2)16-13-18(15-8-10-17(27-4)11-9-15)23(22,3)20(14-16)25-21(26)19-7-5-6-12-24-19/h5-12,16,18,20H,13-14H2,1-4H3,(H,25,26).
What are the key properties of N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide?
N-[6-(4-methoxyphenyl)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.43, 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)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]pyridine-2-carboxamide is sourced from PubChem (CID 135008712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).