N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide

C19H26N2O — CID 110661008

IUPACN-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
SMILESO=C(NCCCc1ccccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O/c22-18(21-7-3-5-17-4-1-2-6-20-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h1-2,4,6,14-16H,3,5,7-13H2,(H,21,22)
InChIKeyDNNSPODMFYIAHG-UHFFFAOYSA-N
MW298.43 g/mol
LogP3.35
Rot. Bonds5

About N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide

N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide (PubChem CID 110661008) has the molecular formula C19H26N2O and a molecular weight of 298.43 g/mol. Its IUPAC name is N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
PubChem CID110661008
Molecular FormulaC19H26N2O
Molecular Weight298.43 g/mol
Exact Mass298.20
IUPAC NameN-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
SMILESO=C(NCCCc1ccccn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H26N2O/c22-18(21-7-3-5-17-4-1-2-6-20-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h1-2,4,6,14-16H,3,5,7-13H2,(H,21,22)
InChIKeyDNNSPODMFYIAHG-UHFFFAOYSA-N
XLogP3.35
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[methyl(2-pyridin-2-ylethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 134017600
(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
3-ethyl-5-hydroxy-N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide
CID 131944828
N-[4-oxo-4-[2-(pyridine-2-carbonyl)hydrazinyl]butyl]adamantane-1-carboxamide
CID 9401958
N-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]adamantane-1-carboxamide
CID 139835097
N-[3-[2-methoxyethyl(pyridin-2-ylmethyl)amino]-3-oxopropyl]adamantane-1-carboxamide
CID 55981551
4-pyridin-2-yl-N-(3-pyridin-2-ylpropyl)butanamide
CID 166230056
1-cyclopentyl-3-(3-pyridin-2-ylpropyl)urea
CID 110661120
N-(3-pyridin-2-ylpropyl)pyridine-2-carboxamide
CID 110660927
phenyl 4-(adamantane-1-carbonylamino)butanoate
CID 18281096
(1S,3R,4R)-3-amino-4-hydroxy-N-(3-pyridin-2-ylpropyl)cyclopentane-1-carboxamide
CID 155501002

Frequently Asked Questions

What is the IUPAC name of N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide?
The IUPAC name of N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide (CID 110661008) is N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide?
The canonical SMILES for N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide is O=C(NCCCc1ccccn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide?
The InChIKey is DNNSPODMFYIAHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O/c22-18(21-7-3-5-17-4-1-2-6-20-17)19-11-14-8-15(12-19)10-16(9-14)13-19/h1-2,4,6,14-16H,3,5,7-13H2,(H,21,22).
What are the key properties of N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide?
N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide has a molecular weight of 298.43 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyridin-2-ylpropyl)adamantane-1-carboxamide is sourced from PubChem (CID 110661008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).