N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide

C23H23N3O — CID 102048380

IUPACN-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide
SMILESO=C(Nc1cc2cccnc2c2ncccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H23N3O/c27-22(23-11-14-7-15(12-23)9-16(8-14)13-23)26-19-10-17-3-1-5-24-20(17)21-18(19)4-2-6-25-21/h1-6,10,14-16H,7-9,11-13H2,(H,26,27)
InChIKeyDMQNYCXHWQRNJM-UHFFFAOYSA-N
MW357.46 g/mol
LogP4.94
Rot. Bonds2

About N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide

N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide (PubChem CID 102048380) has the molecular formula C23H23N3O and a molecular weight of 357.46 g/mol. Its IUPAC name is N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide
PubChem CID102048380
Molecular FormulaC23H23N3O
Molecular Weight357.46 g/mol
Exact Mass357.18
IUPAC NameN-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide
SMILESO=C(Nc1cc2cccnc2c2ncccc12)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C23H23N3O/c27-22(23-11-14-7-15(12-23)9-16(8-14)13-23)26-19-10-17-3-1-5-24-20(17)21-18(19)4-2-6-25-21/h1-6,10,14-16H,7-9,11-13H2,(H,26,27)
InChIKeyDMQNYCXHWQRNJM-UHFFFAOYSA-N
XLogP4.94
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide
CID 171577010
1,3,3-trimethyl-N-(1,10-phenanthrolin-5-yl)-6-azabicyclo[3.2.1]octane-6-carboxamide
CID 5024265
N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
6-oxo-N-(1,10-phenanthrolin-5-yl)heptanamide
CID 20704834
methyl 2-(adamantane-1-carbonylamino)pyridine-3-carboxylate
CID 155558946
10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoic acid
CID 68544848
4-(4,4-dimethyl-2,6-dioxocyclohexyl)-4-oxo-N-(1,10-phenanthrolin-5-yl)butanamide
CID 91324787
ethane;5-oxo-5-(1,10-phenanthrolin-5-ylamino)pentanoic acid
CID 144761202
N-[2-(adamantane-1-carbonylamino)pyrimidin-4-yl]adamantane-1-carboxamide
CID 71513706
methyl 10-oxo-10-(1,10-phenanthrolin-5-ylamino)decanoate
CID 68545365
N-(2-methylquinolin-5-yl)adamantane-1-carboxamide
CID 584801

Frequently Asked Questions

What is the IUPAC name of N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide?
The IUPAC name of N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide (CID 102048380) is N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide is O=C(Nc1cc2cccnc2c2ncccc12)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide?
The InChIKey is DMQNYCXHWQRNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O/c27-22(23-11-14-7-15(12-23)9-16(8-14)13-23)26-19-10-17-3-1-5-24-20(17)21-18(19)4-2-6-25-21/h1-6,10,14-16H,7-9,11-13H2,(H,26,27).
What are the key properties of N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide?
N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide has a molecular weight of 357.46 g/mol, XLogP of 4.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,10-phenanthrolin-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 102048380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).