N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide

C31H30N4O2 — CID 10074319

IUPACN-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]cc(-c3ccc(NC(=O)C4C5CC6CC(C5)CC4C6)cc3)c2c1)c1ccccn1
InChIInChI=1S/C31H30N4O2/c36-30(28-3-1-2-10-32-28)35-24-8-9-27-25(16-24)26(17-33-27)20-4-6-23(7-5-20)34-31(37)29-21-12-18-11-19(14-21)15-22(29)13-18/h1-10,16-19,21-22,29,33H,11-15H2,(H,34,37)(H,35,36)
InChIKeyVQYBUNJELSXHIV-UHFFFAOYSA-N
MW490.61 g/mol
LogP6.49
Rot. Bonds5

About N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide

N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide (PubChem CID 10074319) has the molecular formula C31H30N4O2 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
PubChem CID10074319
Molecular FormulaC31H30N4O2
Molecular Weight490.61 g/mol
Exact Mass490.24
IUPAC NameN-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]cc(-c3ccc(NC(=O)C4C5CC6CC(C5)CC4C6)cc3)c2c1)c1ccccn1
InChIInChI=1S/C31H30N4O2/c36-30(28-3-1-2-10-32-28)35-24-8-9-27-25(16-24)26(17-33-27)20-4-6-23(7-5-20)34-31(37)29-21-12-18-11-19(14-21)15-22(29)13-18/h1-10,16-19,21-22,29,33H,11-15H2,(H,34,37)(H,35,36)
InChIKeyVQYBUNJELSXHIV-UHFFFAOYSA-N
XLogP6.49
TPSA86.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.61
LogP ≤ 56.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-pyridin-2-ylphenyl)pyridine-2-carboxamide
CID 110461625
N-[3-[4-(cyclohexanecarbonylamino)phenyl]-1H-indol-5-yl]-3-methylcyclohexane-1-carboxamide
CID 59715098
N-(2,3-dimethyl-1H-indol-5-yl)pyridine-2-carboxamide
CID 140508282
N-[2-[4-[(4-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10026881
N-[2-[4-(pyridine-4-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10002974
4-(1H-indol-3-yl)-N-phenylbenzamide
CID 146637660
N-[2-[4-[(2-methylcyclohexanecarbonyl)amino]phenyl]-1H-indol-5-yl]pyridine-2-carboxamide
CID 10049533
N-(9H-carbazol-2-yl)pyridine-2-carboxamide
CID 66605805
N-[3-(1H-imidazol-2-yl)phenyl]pyridine-2-carboxamide
CID 110744210
N-(9H-fluoren-2-yl)pyridine-2-carboxamide
CID 24637018
N-[3-[6-(4-aminopiperidin-1-yl)pyrazin-2-yl]-1H-indol-5-yl]benzamide
CID 67960112
N-[2-(4-aminophenyl)-3H-benzimidazol-5-yl]pyridine-2-carboxamide
CID 10149852

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide (CID 10074319) is N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide is O=C(Nc1ccc2[nH]cc(-c3ccc(NC(=O)C4C5CC6CC(C5)CC4C6)cc3)c2c1)c1ccccn1.
What is the InChIKey of N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
The InChIKey is VQYBUNJELSXHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H30N4O2/c36-30(28-3-1-2-10-32-28)35-24-8-9-27-25(16-24)26(17-33-27)20-4-6-23(7-5-20)34-31(37)29-21-12-18-11-19(14-21)15-22(29)13-18/h1-10,16-19,21-22,29,33H,11-15H2,(H,34,37)(H,35,36).
What are the key properties of N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide?
N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 6.49, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(adamantane-2-carbonylamino)phenyl]-1H-indol-5-yl]pyridine-2-carboxamide is sourced from PubChem (CID 10074319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).