(2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide

C20H27N3O — CID 46888868

IUPAC(2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1
InChIInChI=1S/C20H27N3O/c24-20(17-4-3-7-23(17)18-5-1-2-6-21-18)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h1-2,5-6,13-17,19H,3-4,7-12H2,(H,22,24)/t13?,14?,15?,16?,17-,19?/m1/s1
InChIKeyPVMVOQMCHKDLNM-CMPFZWEDSA-N
MW325.46 g/mol
LogP2.99
Rot. Bonds3

About (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide

(2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide (PubChem CID 46888868) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide
PubChem CID46888868
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name(2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide
SMILESO=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1
InChIInChI=1S/C20H27N3O/c24-20(17-4-3-7-23(17)18-5-1-2-6-21-18)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h1-2,5-6,13-17,19H,3-4,7-12H2,(H,22,24)/t13?,14?,15?,16?,17-,19?/m1/s1
InChIKeyPVMVOQMCHKDLNM-CMPFZWEDSA-N
XLogP2.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide (CID 46888868) is (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide is O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CCCN1c1ccccn1.
What is the InChIKey of (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide?
The InChIKey is PVMVOQMCHKDLNM-CMPFZWEDSA-N. The full InChI is InChI=1S/C20H27N3O/c24-20(17-4-3-7-23(17)18-5-1-2-6-21-18)22-19-15-9-13-8-14(11-15)12-16(19)10-13/h1-2,5-6,13-17,19H,3-4,7-12H2,(H,22,24)/t13?,14?,15?,16?,17-,19?/m1/s1.
What are the key properties of (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide?
(2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-adamantyl)-1-pyridin-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 46888868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).