[6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

C20H29N3O2 — CID 75375282

IUPAC[6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC(C)N1C2CCC1CN(C(=O)c1ccc(OCC3CC3)nc1)CC2
InChIInChI=1S/C20H29N3O2/c1-14(2)23-17-6-7-18(23)12-22(10-9-17)20(24)16-5-8-19(21-11-16)25-13-15-3-4-15/h5,8,11,14-15,17-18H,3-4,6-7,9-10,12-13H2,1-2H3
InChIKeyBFDWPXCBTPCLFQ-UHFFFAOYSA-N
MW343.47 g/mol
LogP2.96
Rot. Bonds5

About [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone

[6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (PubChem CID 75375282) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.

Molecular Properties

Compound Name[6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
PubChem CID75375282
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name[6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
SMILESCC(C)N1C2CCC1CN(C(=O)c1ccc(OCC3CC3)nc1)CC2
InChIInChI=1S/C20H29N3O2/c1-14(2)23-17-6-7-18(23)12-22(10-9-17)20(24)16-5-8-19(21-11-16)25-13-15-3-4-15/h5,8,11,14-15,17-18H,3-4,6-7,9-10,12-13H2,1-2H3
InChIKeyBFDWPXCBTPCLFQ-UHFFFAOYSA-N
XLogP2.96
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The IUPAC name of [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone (CID 75375282) is [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone.
What is the SMILES notation for [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The canonical SMILES for [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is CC(C)N1C2CCC1CN(C(=O)c1ccc(OCC3CC3)nc1)CC2.
What is the InChIKey of [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
The InChIKey is BFDWPXCBTPCLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-14(2)23-17-6-7-18(23)12-22(10-9-17)20(24)16-5-8-19(21-11-16)25-13-15-3-4-15/h5,8,11,14-15,17-18H,3-4,6-7,9-10,12-13H2,1-2H3.
What are the key properties of [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone?
[6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone has a molecular weight of 343.47 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(cyclopropylmethoxy)-3-pyridinyl]-(9-propan-2-yl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone is sourced from PubChem (CID 75375282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).