(2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone

C19H29N3O — CID 177347984

IUPAC(2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone
SMILESCC(C)C1CN(Cc2cccc(C(=O)N3CCCC3(C)C)n2)C1
InChIInChI=1S/C19H29N3O/c1-14(2)15-11-21(12-15)13-16-7-5-8-17(20-16)18(23)22-10-6-9-19(22,3)4/h5,7-8,14-15H,6,9-13H2,1-4H3
InChIKeyIPYPUGZSCZCUDP-UHFFFAOYSA-N
MW315.46 g/mol
LogP3.18
Rot. Bonds4

About (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone

(2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone (PubChem CID 177347984) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone.

Molecular Properties

Compound Name(2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone
PubChem CID177347984
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name(2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone
SMILESCC(C)C1CN(Cc2cccc(C(=O)N3CCCC3(C)C)n2)C1
InChIInChI=1S/C19H29N3O/c1-14(2)15-11-21(12-15)13-16-7-5-8-17(20-16)18(23)22-10-6-9-19(22,3)4/h5,7-8,14-15H,6,9-13H2,1-4H3
InChIKeyIPYPUGZSCZCUDP-UHFFFAOYSA-N
XLogP3.18
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
The IUPAC name of (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone (CID 177347984) is (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone.
What is the SMILES notation for (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
The canonical SMILES for (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone is CC(C)C1CN(Cc2cccc(C(=O)N3CCCC3(C)C)n2)C1.
What is the InChIKey of (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
The InChIKey is IPYPUGZSCZCUDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-14(2)15-11-21(12-15)13-16-7-5-8-17(20-16)18(23)22-10-6-9-19(22,3)4/h5,7-8,14-15H,6,9-13H2,1-4H3.
What are the key properties of (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone?
(2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone has a molecular weight of 315.46 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylpyrrolidin-1-yl)-[6-[(3-propan-2-ylazetidin-1-yl)methyl]-2-pyridinyl]methanone is sourced from PubChem (CID 177347984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).