N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide

C16H20N4O — CID 10286182

IUPACN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESCc1cc2cc(C(=O)N[C@H]3CN4CCC3CC4)ncn2c1
InChIInChI=1S/C16H20N4O/c1-11-6-13-7-14(17-10-20(13)8-11)16(21)18-15-9-19-4-2-12(15)3-5-19/h6-8,10,12,15H,2-5,9H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyUHYVLEIRAIRCRY-HNNXBMFYSA-N
MW284.36 g/mol
LogP1.47
Rot. Bonds2

About N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide (PubChem CID 10286182) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide
PubChem CID10286182
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide
SMILESCc1cc2cc(C(=O)N[C@H]3CN4CCC3CC4)ncn2c1
InChIInChI=1S/C16H20N4O/c1-11-6-13-7-14(17-10-20(13)8-11)16(21)18-15-9-19-4-2-12(15)3-5-19/h6-8,10,12,15H,2-5,9H2,1H3,(H,18,21)/t15-/m0/s1
InChIKeyUHYVLEIRAIRCRY-HNNXBMFYSA-N
XLogP1.47
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-7-ethynylpyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 10236439
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-cyclopropyl-1-methylpyrazole-3-carboxamide
CID 91948639
N-(1-azabicyclo[2.2.2]octan-3-yl)-4-(ethylamino)pyridine-2-carboxamide
CID 62167266
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-(dimethylamino)-6-methylpyrimidine-4-carboxamide
CID 91948681
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]furo[2,3-c]pyridine-5-(11C)carboxamide
CID 10084487
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,3-dihydrofuro[2,3-c]pyridine-5-carboxamide
CID 22047049
N-(1-azabicyclo[2.2.2]octan-3-yl)-2,5-dimethylbenzamide
CID 91948829
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-2-methylimidazo[1,2-a]pyridine-6-carboxamide
CID 10149424
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]thieno[3,4-c]pyridine-6-carboxamide;methanesulfonic acid
CID 87925336
N-(1-azabicyclo[2.2.2]octan-3-yl)thieno[2,3-c]pyridine-5-carboxamide
CID 22047030
N-(1-azabicyclo[2.2.2]octan-3-yl)-3-formylfuro[2,3-c]pyridine-5-carboxamide
CID 22047077
N-(1-azabicyclo[2.2.2]octan-3-yl)-5-(ethylamino)pyrazine-2-carboxamide
CID 107374254

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide?
The IUPAC name of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide (CID 10286182) is N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide is Cc1cc2cc(C(=O)N[C@H]3CN4CCC3CC4)ncn2c1.
What is the InChIKey of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide?
The InChIKey is UHYVLEIRAIRCRY-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-6-13-7-14(17-10-20(13)8-11)16(21)18-15-9-19-4-2-12(15)3-5-19/h6-8,10,12,15H,2-5,9H2,1H3,(H,18,21)/t15-/m0/s1.
What are the key properties of N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide?
N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-azabicyclo[2.2.2]octan-3-yl]-6-methylpyrrolo[1,2-c]pyrimidine-3-carboxamide is sourced from PubChem (CID 10286182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).