3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide

C23H25ClN2O — CID 15604015

IUPAC3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2
InChIInChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
InChIKeyCAOTVXGYTWCKQE-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.89
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide

3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide (PubChem CID 15604015) has the molecular formula C23H25ClN2O and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
PubChem CID15604015
Molecular FormulaC23H25ClN2O
Molecular Weight380.92 g/mol
Exact Mass380.17
IUPAC Name3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
SMILESO=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2
InChIInChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27)
InChIKeyCAOTVXGYTWCKQE-UHFFFAOYSA-N
XLogP4.89
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide (CID 15604015) is 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide is O=C(NCc1ccncc1)C12CC3CC(C1)CC(c1ccc(Cl)cc1)(C3)C2.
What is the InChIKey of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide?
The InChIKey is CAOTVXGYTWCKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN2O/c24-20-3-1-19(2-4-20)22-10-17-9-18(11-22)13-23(12-17,15-22)21(27)26-14-16-5-7-25-8-6-16/h1-8,17-18H,9-15H2,(H,26,27).
What are the key properties of 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide?
3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide has a molecular weight of 380.92 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 15604015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).