N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide

C18H23N5O — CID 167847761

IUPACN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C34CCCN(CC3)C4)cn2)n1
InChIInChI=1S/C18H23N5O/c1-13-10-14(2)23(21-13)16-5-4-15(11-19-16)20-17(24)18-6-3-8-22(12-18)9-7-18/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,24)
InChIKeyHPPDMKMPTKLKBR-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.31
Rot. Bonds3

About N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide

N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide (PubChem CID 167847761) has the molecular formula C18H23N5O and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide.

Molecular Properties

Compound NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
PubChem CID167847761
Molecular FormulaC18H23N5O
Molecular Weight325.42 g/mol
Exact Mass325.19
IUPAC NameN-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide
SMILESCc1cc(C)n(-c2ccc(NC(=O)C34CCCN(CC3)C4)cn2)n1
InChIInChI=1S/C18H23N5O/c1-13-10-14(2)23(21-13)16-5-4-15(11-19-16)20-17(24)18-6-3-8-22(12-18)9-7-18/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,24)
InChIKeyHPPDMKMPTKLKBR-UHFFFAOYSA-N
XLogP2.31
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The IUPAC name of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide (CID 167847761) is N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide.
What is the SMILES notation for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The canonical SMILES for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide is Cc1cc(C)n(-c2ccc(NC(=O)C34CCCN(CC3)C4)cn2)n1.
What is the InChIKey of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
The InChIKey is HPPDMKMPTKLKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O/c1-13-10-14(2)23(21-13)16-5-4-15(11-19-16)20-17(24)18-6-3-8-22(12-18)9-7-18/h4-5,10-11H,3,6-9,12H2,1-2H3,(H,20,24).
What are the key properties of N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide?
N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-1-azabicyclo[3.2.1]octane-5-carboxamide is sourced from PubChem (CID 167847761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).