7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

C22H23ClN2O — CID 166802434

IUPAC7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(NCc1ccncc1)C12CC3CC(C1)CC2(c1ccc(Cl)cc1)C3
InChIInChI=1S/C22H23ClN2O/c23-19-3-1-18(2-4-19)21-10-16-9-17(11-21)13-22(21,12-16)20(26)25-14-15-5-7-24-8-6-15/h1-8,16-17H,9-14H2,(H,25,26)
InChIKeyNBHWMLXFQXIIRG-UHFFFAOYSA-N
MW366.89 g/mol
LogP4.50
Rot. Bonds4

About 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide

7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 166802434) has the molecular formula C22H23ClN2O and a molecular weight of 366.89 g/mol. Its IUPAC name is 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID166802434
Molecular FormulaC22H23ClN2O
Molecular Weight366.89 g/mol
Exact Mass366.15
IUPAC Name7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESO=C(NCc1ccncc1)C12CC3CC(C1)CC2(c1ccc(Cl)cc1)C3
InChIInChI=1S/C22H23ClN2O/c23-19-3-1-18(2-4-19)21-10-16-9-17(11-21)13-22(21,12-16)20(26)25-14-15-5-7-24-8-6-15/h1-8,16-17H,9-14H2,(H,25,26)
InChIKeyNBHWMLXFQXIIRG-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.89
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(7S)-3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
CID 71587865
N'-(1-adamantyl)-N-(pyridin-4-ylmethyl)oxamide
CID 108518278
3-(4-chlorophenyl)-N-[(3,4-dihydroxyphenyl)methyl]adamantane-1-carboxamide
CID 15983462
3-(4-chlorophenyl)adamantane-1-carboxylic acid;[3-(4-chlorophenyl)-1-adamantyl]-imidazol-1-ylmethanone;3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide;deuterio(iodo)methane;hydroxymethanone;methane;pyridin-4-ylmethanamine
CID 157102855
2,2-dichloro-1-methyl-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 47101185
1-[(4-chlorophenoxy)methyl]-3-(pyridin-4-ylmethyl)urea
CID 108885189
2-amino-N-(pyridin-4-ylmethyl)cyclopropane-1-carboxamide
CID 82237334
1-[2-(4-chlorophenyl)ethyl]-5-oxo-N-(pyridin-4-ylmethyl)pyrrolidine-3-carboxamide
CID 113185012
1-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137252
cis-(1S,2R)-2-(pyridin-4-ylmethylcarbamoyl)cyclopropane-1-carboxylic acid
CID 676939
2-[(4-chlorophenyl)methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60791872
6-[(4-chlorophenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109156907

Frequently Asked Questions

What is the IUPAC name of 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 166802434) is 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is O=C(NCc1ccncc1)C12CC3CC(C1)CC2(c1ccc(Cl)cc1)C3.
What is the InChIKey of 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is NBHWMLXFQXIIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O/c23-19-3-1-18(2-4-19)21-10-16-9-17(11-21)13-22(21,12-16)20(26)25-14-15-5-7-24-8-6-15/h1-8,16-17H,9-14H2,(H,25,26).
What are the key properties of 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide?
7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 366.89 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 166802434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).