N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide

C16H20BrN3O — CID 62153733

IUPACN-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20BrN3O/c17-12-4-13(14(18)19-8-12)15(21)20-16-5-9-1-10(6-16)3-11(2-9)7-16/h4,8-11H,1-3,5-7H2,(H2,18,19)(H,20,21)
InChIKeyXBPSJDAUOSZJJE-UHFFFAOYSA-N
MW350.26 g/mol
LogP3.12
Rot. Bonds2

About N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide

N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide (PubChem CID 62153733) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide
PubChem CID62153733
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC NameN-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide
SMILESNc1ncc(Br)cc1C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H20BrN3O/c17-12-4-13(14(18)19-8-12)15(21)20-16-5-9-1-10(6-16)3-11(2-9)7-16/h4,8-11H,1-3,5-7H2,(H2,18,19)(H,20,21)
InChIKeyXBPSJDAUOSZJJE-UHFFFAOYSA-N
XLogP3.12
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 55042048
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CID 62155023
2-amino-N-(1-bicyclo[1.1.1]pentanyl)-5-bromo-N-methylpyridine-3-carboxamide
CID 118238040
1-N,3-N-bis(1-adamantyl)-5-aminobenzene-1,3-dicarboxamide
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2-amino-5-bromo-N-(3-methylcyclopentyl)pyridine-3-carboxamide
CID 114540575
N-(1-adamantyl)-5-aminopyridine-2-carboxamide
CID 81309951
N-(1-adamantyl)-4-bromo-2-(hydroxymethyl)benzamide
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2-amino-5-bromo-N-(2-hydroxycyclohexyl)pyridine-3-carboxamide
CID 62359305
2-amino-5-bromo-N-(thiadiazol-5-yl)pyridine-3-carboxamide
CID 114914151
2-amino-5-bromo-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 114138586
(2-amino-5-bromo-3-pyridinyl)-cyclopentylmethanone
CID 59699866
N-(2-acetamidoethyl)-2-amino-5-bromopyridine-3-carboxamide
CID 62154291

Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide?
The IUPAC name of N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide (CID 62153733) is N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide?
The canonical SMILES for N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide is Nc1ncc(Br)cc1C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide?
The InChIKey is XBPSJDAUOSZJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c17-12-4-13(14(18)19-8-12)15(21)20-16-5-9-1-10(6-16)3-11(2-9)7-16/h4,8-11H,1-3,5-7H2,(H2,18,19)(H,20,21).
What are the key properties of N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide?
N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide has a molecular weight of 350.26 g/mol, XLogP of 3.12, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-amino-5-bromopyridine-3-carboxamide is sourced from PubChem (CID 62153733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).