N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide

C13H16ClN3O2 — CID 22243515

IUPACN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NC2CC3CC2CN3)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-19-12-6-16-11(4-9(12)14)13(18)17-10-3-8-2-7(10)5-15-8/h4,6-8,10,15H,2-3,5H2,1H3,(H,17,18)
InChIKeyWYKSFCALPKEWKC-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.22
Rot. Bonds3

About N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide

N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide (PubChem CID 22243515) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide
PubChem CID22243515
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide
SMILESCOc1cnc(C(=O)NC2CC3CC2CN3)cc1Cl
InChIInChI=1S/C13H16ClN3O2/c1-19-12-6-16-11(4-9(12)14)13(18)17-10-3-8-2-7(10)5-15-8/h4,6-8,10,15H,2-3,5H2,1H3,(H,17,18)
InChIKeyWYKSFCALPKEWKC-UHFFFAOYSA-N
XLogP1.22
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-(2-azabicyclo[2.2.1]heptan-5-ylcarbamoyl)furo[3,2-c]pyridine-2-carboxylate
CID 22389358
N-(2-azabicyclo[2.2.1]heptan-5-yl)-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
CID 22591334
N-[(1R,4R,5R)-2-azabicyclo[2.2.1]heptan-5-yl]-[1,3]oxazolo[5,4-c]pyridine-6-carboxamide
CID 92974579
N-[(1R,4R,5S)-2-azabicyclo[2.2.1]heptan-5-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
CID 93499254
N-(2-azabicyclo[2.2.1]heptan-5-yl)-2-cyanofuro[3,2-c]pyridine-6-carboxamide
CID 22389296
N-(6-azabicyclo[3.2.1]octan-2-yl)-5-(4-methoxyphenoxy)pyridine-2-carboxamide
CID 167790207
N-(2-azabicyclo[2.2.1]heptan-5-yl)-5-(3-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 22350567
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-[(5-chloro-3-pyridinyl)oxy]benzamide
CID 22573509
N-(2-azabicyclo[2.2.1]heptan-5-yl)-6-cyanopyrrolo[1,2-a]pyrazine-3-carboxamide
CID 22565556
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-hydroxypyridine-2-carboxamide
CID 23598720
2-azabicyclo[2.2.1]heptan-5-ylcarbamic acid
CID 77430826
N-(2-azabicyclo[2.2.1]heptan-5-yl)-1H-indazole-6-carboxamide
CID 10192822

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide (CID 22243515) is N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide is COc1cnc(C(=O)NC2CC3CC2CN3)cc1Cl.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide?
The InChIKey is WYKSFCALPKEWKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-19-12-6-16-11(4-9(12)14)13(18)17-10-3-8-2-7(10)5-15-8/h4,6-8,10,15H,2-3,5H2,1H3,(H,17,18).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide has a molecular weight of 281.74 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-5-yl)-4-chloro-5-methoxypyridine-2-carboxamide is sourced from PubChem (CID 22243515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).