N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide

C22H31N3O2 — CID 134017600

IUPACN-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCN(CCc1ccccn1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31N3O2/c1-25(9-6-19-4-2-3-7-23-19)20(26)5-8-24-21(27)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-4,7,16-18H,5-6,8-15H2,1H3,(H,24,27)
InChIKeyBJMYNPXISNZLBJ-UHFFFAOYSA-N
MW369.51 g/mol
LogP2.81
Rot. Bonds7

About N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide

N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide (PubChem CID 134017600) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
PubChem CID134017600
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC NameN-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
SMILESCN(CCc1ccccn1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C22H31N3O2/c1-25(9-6-19-4-2-3-7-23-19)20(26)5-8-24-21(27)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-4,7,16-18H,5-6,8-15H2,1H3,(H,24,27)
InChIKeyBJMYNPXISNZLBJ-UHFFFAOYSA-N
XLogP2.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-adamantylcarbamoylamino)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 134017559
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 110661008
N-[3-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 55981551
2-methyl-N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]benzamide
CID 134008685
(5S,7R)-3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
CID 39898183
3-phenyl-N-(2-pyridin-2-ylethyl)adamantane-1-carboxamide
CID 51109928
N-[3-[(2-ethoxyphenyl)methyl-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 55860381
N-[3-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 8620754
1-amino-N-[2-[methyl(2-pyridin-2-ylethyl)amino]-2-oxoethyl]cyclopentane-1-carboxamide
CID 119873315
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 31370044
N-[4-[methyl-[2-(3-methylphenoxy)ethyl]amino]-4-oxobutyl]adamantane-1-carboxamide
CID 18098208
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-2-ylethyl)propanamide
CID 43309211

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide?
The IUPAC name of N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide (CID 134017600) is N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide?
The canonical SMILES for N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide is CN(CCc1ccccn1)C(=O)CCNC(=O)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide?
The InChIKey is BJMYNPXISNZLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-25(9-6-19-4-2-3-7-23-19)20(26)5-8-24-21(27)22-13-16-10-17(14-22)12-18(11-16)15-22/h2-4,7,16-18H,5-6,8-15H2,1H3,(H,24,27).
What are the key properties of N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide?
N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide has a molecular weight of 369.51 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide is sourced from PubChem (CID 134017600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).