N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide

C12H15ClN4O2 — CID 22243235

IUPACN-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ncc(O)c(Cl)n1
InChIInChI=1S/C12H15ClN4O2/c13-10-9(18)4-14-11(16-10)12(19)15-8-3-7-1-2-17(5-7)6-8/h4,7-8,18H,1-3,5-6H2,(H,15,19)
InChIKeyMVXRLCQBTTUFEL-UHFFFAOYSA-N
MW282.73 g/mol
LogP0.66
Rot. Bonds2

About N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide

N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide (PubChem CID 22243235) has the molecular formula C12H15ClN4O2 and a molecular weight of 282.73 g/mol. Its IUPAC name is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide.

Molecular Properties

Compound NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide
PubChem CID22243235
Molecular FormulaC12H15ClN4O2
Molecular Weight282.73 g/mol
Exact Mass282.09
IUPAC NameN-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide
SMILESO=C(NC1CC2CCN(C2)C1)c1ncc(O)c(Cl)n1
InChIInChI=1S/C12H15ClN4O2/c13-10-9(18)4-14-11(16-10)12(19)15-8-3-7-1-2-17(5-7)6-8/h4,7-8,18H,1-3,5-6H2,(H,15,19)
InChIKeyMVXRLCQBTTUFEL-UHFFFAOYSA-N
XLogP0.66
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.73
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-6-chloro-5-hydroxypyridine-2-carboxamide
CID 87940296
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-7-chlorofuro[2,3-c]pyridine-5-carboxamide
CID 87166112
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-bromo-1,3-oxazole-2-carboxamide
CID 22350688
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]thieno[2,3-b]pyridine-2-carboxamide
CID 66814630
N-[(1S,2R,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-4-chloro-5-hydroxypyrimidine-2-carboxamide
CID 23598721
N-(1-azabicyclo[3.2.1]octan-3-yl)-5-(4-chlorophenyl)-1,3-oxazole-2-carboxamide
CID 22350338
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-3-chlorothieno[2,3-c]pyridine-5-carboxamide
CID 66814952
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-methylfuro[3,2-c]pyridine-6-carboxamide
CID 66814738
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]-2-sulfanylfuro[3,2-c]pyridine-6-carboxamide
CID 66815047
N-(1-azabicyclo[3.2.1]octan-3-yl)thieno[2,3-b]pyridine-6-carboxamide
CID 22389175
N-[(3R,5S)-1-azabicyclo[3.2.1]octan-3-yl]-2-bromofuro[2,3-c]pyridine-5-carboxamide
CID 66815107
N-[(3R,5R)-1-azabicyclo[3.2.1]octan-3-yl]furo[2,3-c]pyridine-5-carboxamide;hydrochloride
CID 25014728

Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide?
The IUPAC name of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide (CID 22243235) is N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide.
What is the SMILES notation for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide?
The canonical SMILES for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide is O=C(NC1CC2CCN(C2)C1)c1ncc(O)c(Cl)n1.
What is the InChIKey of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide?
The InChIKey is MVXRLCQBTTUFEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2/c13-10-9(18)4-14-11(16-10)12(19)15-8-3-7-1-2-17(5-7)6-8/h4,7-8,18H,1-3,5-6H2,(H,15,19).
What are the key properties of N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide?
N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide has a molecular weight of 282.73 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[3.2.1]octan-3-yl)-4-chloro-5-hydroxypyrimidine-2-carboxamide is sourced from PubChem (CID 22243235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).