N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide

C22H30N2O — CID 3224906

IUPACN-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
SMILESO=C(N(Cc1ccncc1)C1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O/c25-21(22-12-17-9-18(13-22)11-19(10-17)14-22)24(20-3-1-2-4-20)15-16-5-7-23-8-6-16/h5-8,17-20H,1-4,9-15H2
InChIKeyUNLLBBNLFUHMNY-UHFFFAOYSA-N
MW338.50 g/mol
LogP4.57
Rot. Bonds4

About N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide

N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide (PubChem CID 3224906) has the molecular formula C22H30N2O and a molecular weight of 338.50 g/mol. Its IUPAC name is N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
PubChem CID3224906
Molecular FormulaC22H30N2O
Molecular Weight338.50 g/mol
Exact Mass338.24
IUPAC NameN-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide
SMILESO=C(N(Cc1ccncc1)C1CCCC1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H30N2O/c25-21(22-12-17-9-18(13-22)11-19(10-17)14-22)24(20-3-1-2-4-20)15-16-5-7-23-8-6-16/h5-8,17-20H,1-4,9-15H2
InChIKeyUNLLBBNLFUHMNY-UHFFFAOYSA-N
XLogP4.57
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide?
The IUPAC name of N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide (CID 3224906) is N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide?
The canonical SMILES for N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide is O=C(N(Cc1ccncc1)C1CCCC1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide?
The InChIKey is UNLLBBNLFUHMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O/c25-21(22-12-17-9-18(13-22)11-19(10-17)14-22)24(20-3-1-2-4-20)15-16-5-7-23-8-6-16/h5-8,17-20H,1-4,9-15H2.
What are the key properties of N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide?
N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide has a molecular weight of 338.50 g/mol, XLogP of 4.57, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-N-(pyridin-4-ylmethyl)adamantane-1-carboxamide is sourced from PubChem (CID 3224906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).