9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

C19H21F2N3O2 — CID 141226915

IUPAC9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC1CC(C2)C3c1cccnc1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C19H21F2N3O2/c20-19(21)8-24(9-19)16(25)15-13(2-1-3-23-15)14-10-4-12-5-11(14)7-18(12,6-10)17(22)26/h1-3,10-12,14H,4-9H2,(H2,22,26)
InChIKeyGEZFYSSPFHNCMT-UHFFFAOYSA-N
MW361.39 g/mol
LogP2.18
Rot. Bonds3

About 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide

9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (PubChem CID 141226915) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.

Molecular Properties

Compound Name9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
PubChem CID141226915
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC Name9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide
SMILESNC(=O)C12CC3CC1CC(C2)C3c1cccnc1C(=O)N1CC(F)(F)C1
InChIInChI=1S/C19H21F2N3O2/c20-19(21)8-24(9-19)16(25)15-13(2-1-3-23-15)14-10-4-12-5-11(14)7-18(12,6-10)17(22)26/h1-3,10-12,14H,4-9H2,(H2,22,26)
InChIKeyGEZFYSSPFHNCMT-UHFFFAOYSA-N
XLogP2.18
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The IUPAC name of 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide (CID 141226915) is 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide.
What is the SMILES notation for 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The canonical SMILES for 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is NC(=O)C12CC3CC1CC(C2)C3c1cccnc1C(=O)N1CC(F)(F)C1.
What is the InChIKey of 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
The InChIKey is GEZFYSSPFHNCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c20-19(21)8-24(9-19)16(25)15-13(2-1-3-23-15)14-10-4-12-5-11(14)7-18(12,6-10)17(22)26/h1-3,10-12,14H,4-9H2,(H2,22,26).
What are the key properties of 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide?
9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide has a molecular weight of 361.39 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(3,3-difluoroazetidine-1-carbonyl)-3-pyridinyl]tricyclo[3.3.1.03,7]nonane-3-carboxamide is sourced from PubChem (CID 141226915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).