N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide

C23H25BrN4O2 — CID 58358628

IUPACN-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5cc(Br)ccn5)(C4)C2)C3)n1
InChIInChI=1S/C23H25BrN4O2/c1-14-3-2-4-18(26-14)20(29)27-22-9-15-7-16(10-22)12-23(11-15,13-22)28-21(30)19-8-17(24)5-6-25-19/h2-6,8,15-16H,7,9-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyKCIIWUOXGRROPB-UHFFFAOYSA-N
MW469.38 g/mol
LogP3.80
Rot. Bonds4

About N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide

N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide (PubChem CID 58358628) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
PubChem CID58358628
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC NameN-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5cc(Br)ccn5)(C4)C2)C3)n1
InChIInChI=1S/C23H25BrN4O2/c1-14-3-2-4-18(26-14)20(29)27-22-9-15-7-16(10-22)12-23(11-15,13-22)28-21(30)19-8-17(24)5-6-25-19/h2-6,8,15-16H,7,9-13H2,1H3,(H,27,29)(H,28,30)
InChIKeyKCIIWUOXGRROPB-UHFFFAOYSA-N
XLogP3.80
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.38
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(3-cyanobenzoyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 44633442
6-methyl-N-[3-(propylcarbamoylamino)-1-adamantyl]pyridine-2-carboxamide
CID 53327007
2,2,2-trifluoroethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323386
2-(2-methoxyethoxy)ethyl N-[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl]carbamate
CID 67323372
6-methyl-N-[3-(oxan-4-ylmethylamino)-1-adamantyl]pyridine-2-carboxamide
CID 123657933
[3-[(6-methylpyridine-2-carbonyl)amino]-1-adamantyl] azetidine-1-carboxylate
CID 53327442
N-[3-[2-(6-fluoro-2-pyridinyl)-2-oxoethyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 58358675
N-[3-(6-fluoro-1H-benzimidazol-2-yl)-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 53327244
N-[3-[[2-(3-chlorophenyl)-2-oxoethyl]carbamoyl]-1-adamantyl]-6-methylpyridine-2-carboxamide
CID 67341856
N-(3-amino-1-adamantyl)-6-methylpyridine-2-carboxamide;6-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621415
6-(4-methylpiperazin-1-yl)-N-[3-(pyridine-2-carbonylamino)-1-adamantyl]pyridine-2-carboxamide
CID 58358484
6-methyl-N-[3-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)-1-adamantyl]pyridine-2-carboxamide
CID 67341196

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide (CID 58358628) is N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NC23CC4CC(CC(NC(=O)c5cc(Br)ccn5)(C4)C2)C3)n1.
What is the InChIKey of N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
The InChIKey is KCIIWUOXGRROPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-14-3-2-4-18(26-14)20(29)27-22-9-15-7-16(10-22)12-23(11-15,13-22)28-21(30)19-8-17(24)5-6-25-19/h2-6,8,15-16H,7,9-13H2,1H3,(H,27,29)(H,28,30).
What are the key properties of N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide?
N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide has a molecular weight of 469.38 g/mol, XLogP of 3.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-bromopyridine-2-carbonyl)amino]-1-adamantyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 58358628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).