3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide

C20H26ClN3O2 — CID 17438019

IUPAC3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)C12CC3CC(CC(Cl)(C3)C1)C2
InChIInChI=1S/C20H26ClN3O2/c21-20-10-14-7-15(11-20)9-19(8-14,13-20)18(25)23-16-1-2-17(22-12-16)24-3-5-26-6-4-24/h1-2,12,14-15H,3-11,13H2,(H,23,25)
InChIKeyNYERPMIRNWIWQR-UHFFFAOYSA-N
MW375.90 g/mol
LogP3.43
Rot. Bonds3

About 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide

3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide (PubChem CID 17438019) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide
PubChem CID17438019
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC Name3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc(N2CCOCC2)nc1)C12CC3CC(CC(Cl)(C3)C1)C2
InChIInChI=1S/C20H26ClN3O2/c21-20-10-14-7-15(11-20)9-19(8-14,13-20)18(25)23-16-1-2-17(22-12-16)24-3-5-26-6-4-24/h1-2,12,14-15H,3-11,13H2,(H,23,25)
InChIKeyNYERPMIRNWIWQR-UHFFFAOYSA-N
XLogP3.43
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]-2-oxoethyl]adamantane-1-carboxamide
CID 18133630
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]adamantane-1-carboxamide
CID 25396636
3-hydroxy-N-(4-morpholin-4-ylphenyl)adamantane-1-carboxamide
CID 4835232
1-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)cyclobutane-1-carboxamide
CID 115447710
1-methyl-3-(6-morpholin-4-yl-3-pyridinyl)urea
CID 47162241
3-chloro-N-(3,4-dimethylphenyl)adamantane-1-carboxamide
CID 42906238
N-(6-morpholin-4-yl-3-pyridinyl)prop-2-enamide
CID 43699902
3-[(6-morpholin-4-yl-3-pyridinyl)amino]-3-oxopropanoic acid
CID 62229953
2,2-dimethyl-N-(6-morpholin-4-yl-3-pyridinyl)propanamide
CID 11391397
1-(aminomethyl)-N-(6-morpholin-4-yl-3-pyridinyl)cyclopentane-1-carboxamide;dihydrochloride
CID 119839666
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(6-morpholin-4-yl-3-pyridinyl)acetamide;dihydrochloride
CID 119839701
(5R,7R)-3-chloro-N-(4-methylsulfonylphenyl)adamantane-1-carboxamide
CID 98349263

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide?
The IUPAC name of 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide (CID 17438019) is 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide.
What is the SMILES notation for 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide?
The canonical SMILES for 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide is O=C(Nc1ccc(N2CCOCC2)nc1)C12CC3CC(CC(Cl)(C3)C1)C2.
What is the InChIKey of 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide?
The InChIKey is NYERPMIRNWIWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2/c21-20-10-14-7-15(11-20)9-19(8-14,13-20)18(25)23-16-1-2-17(22-12-16)24-3-5-26-6-4-24/h1-2,12,14-15H,3-11,13H2,(H,23,25).
What are the key properties of 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide?
3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide has a molecular weight of 375.90 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(6-morpholin-4-yl-3-pyridinyl)adamantane-1-carboxamide is sourced from PubChem (CID 17438019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).