N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide

C16H19N3O3 — CID 4163230

IUPACN-(5-nitro-2-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H19N3O3/c20-15(18-14-2-1-13(9-17-14)19(21)22)16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,17,18,20)
InChIKeyCZPCVJXVWPMKPH-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.14
Rot. Bonds3

About N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide

N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide (PubChem CID 4163230) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(5-nitro-2-pyridinyl)adamantane-1-carboxamide
PubChem CID4163230
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-(5-nitro-2-pyridinyl)adamantane-1-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H19N3O3/c20-15(18-14-2-1-13(9-17-14)19(21)22)16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,17,18,20)
InChIKeyCZPCVJXVWPMKPH-UHFFFAOYSA-N
XLogP3.14
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-chloro-2-pyridinyl)adamantane-1-carboxamide
CID 2848364
N-(2-chloro-4-nitrophenyl)adamantane-1-carboxamide
CID 4576199
N-(5-nitro-2-pyridinyl)cyclohexanecarboxamide
CID 2931199
N-[4-(1-adamantyl)phenyl]-5-nitropyridin-2-amine
CID 4764010
N-[7-(adamantane-1-carbonylamino)-1,8-naphthyridin-2-yl]adamantane-1-carboxamide
CID 11533170
N-(2-methylcyclopropyl)-5-nitropyridin-2-amine
CID 62397740
(E)-3-(4-nitrophenyl)-N-(5-nitro-2-pyridinyl)prop-2-enamide
CID 6085357
1-(4-methylphenyl)sulfonyl-N-(5-nitro-2-pyridinyl)cyclopropane-1-carboxamide
CID 4640475
N-[2-(adamantane-1-carbonylamino)pyrimidin-4-yl]adamantane-1-carboxamide
CID 71513706
4-[(5-nitro-2-pyridinyl)amino]cyclopent-2-ene-1-carboxylic acid
CID 79216172
3-cyclohexyl-N-(5-nitro-2-pyridinyl)propanamide
CID 3850137
N-(3-nitro-5-pyridin-3-yloxyphenyl)adamantane-1-carboxamide
CID 4684686

Frequently Asked Questions

What is the IUPAC name of N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide?
The IUPAC name of N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide (CID 4163230) is N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide.
What is the SMILES notation for N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide?
The canonical SMILES for N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cn1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide?
The InChIKey is CZPCVJXVWPMKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c20-15(18-14-2-1-13(9-17-14)19(21)22)16-6-10-3-11(7-16)5-12(4-10)8-16/h1-2,9-12H,3-8H2,(H,17,18,20).
What are the key properties of N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide?
N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-nitro-2-pyridinyl)adamantane-1-carboxamide is sourced from PubChem (CID 4163230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).