N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide

C16H19N3O2 — CID 768050

IUPACN-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C1\[C@@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccccn1
InChIInChI=1S/C16H19N3O2/c20-15(13-3-1-2-4-17-13)19-18-14-11-5-10-6-12(14)9-16(21,7-10)8-11/h1-4,10-12,21H,5-9H2,(H,19,20)/b18-14-/t10?,11-,12+,16?/m0/s1
InChIKeyMPNGZQRYAILHPO-KQXKIDJSSA-N
MW285.35 g/mol
LogP1.74
Rot. Bonds2

About N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide

N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide (PubChem CID 768050) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide
PubChem CID768050
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide
SMILESO=C(N/N=C1\[C@@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccccn1
InChIInChI=1S/C16H19N3O2/c20-15(13-3-1-2-4-17-13)19-18-14-11-5-10-6-12(14)9-16(21,7-10)8-11/h1-4,10-12,21H,5-9H2,(H,19,20)/b18-14-/t10?,11-,12+,16?/m0/s1
InChIKeyMPNGZQRYAILHPO-KQXKIDJSSA-N
XLogP1.74
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(1R,4R)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 98111329
N-[(E)-[(1S,4S)-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 98475772
N-[1-(1-adamantyl)ethylideneamino]pyridine-2-carboxamide
CID 2852529
N-[(E)-[(1R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene]amino]pyridine-2-carboxamide
CID 23327830
N-[(Z)-[(1S,5R)-6-bicyclo[3.2.0]hept-2-enylidene]amino]pyridine-2-carboxamide
CID 7921930
N-[[1-(3,3-dimethylbutanoyl)piperidin-4-ylidene]amino]pyridine-2-carboxamide
CID 71888278
N-(5-hydroxy-2-adamantyl)-6-(4-pyridin-2-ylpiperidin-1-yl)pyridine-2-carboxamide
CID 54591981
N-[4-(pyridine-2-carbonylamino)cyclohexyl]pyridine-2-carboxamide
CID 167956409
N-(2,2-dihydroxythiolan-3-yl)pyridine-2-carboxamide
CID 68737166
N-[(3R)-2,6-dioxopiperidin-3-yl]pyridine-2-carboxamide
CID 175992021
ethane;pyridine-2-carbonyl chloride
CID 158598971
N-pyrrolidin-1-ylpyridine-2-carboxamide
CID 19710906

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide?
The IUPAC name of N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide (CID 768050) is N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide.
What is the SMILES notation for N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide?
The canonical SMILES for N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide is O=C(N/N=C1\[C@@H]2CC3C[C@H]1CC(O)(C3)C2)c1ccccn1.
What is the InChIKey of N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide?
The InChIKey is MPNGZQRYAILHPO-KQXKIDJSSA-N. The full InChI is InChI=1S/C16H19N3O2/c20-15(13-3-1-2-4-17-13)19-18-14-11-5-10-6-12(14)9-16(21,7-10)8-11/h1-4,10-12,21H,5-9H2,(H,19,20)/b18-14-/t10?,11-,12+,16?/m0/s1.
What are the key properties of N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide?
N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 1.74, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,3S)-5-hydroxy-2-adamantylidene]amino]pyridine-2-carboxamide is sourced from PubChem (CID 768050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).