N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

C19H25N7O3 — CID 167968706

IUPACN-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCC1(O)CCN(C(=O)C2CN3CCC2CC3)C1)c1ccn2nnnc2c1
InChIInChI=1S/C19H25N7O3/c27-17(14-3-7-26-16(9-14)21-22-23-26)20-11-19(29)4-8-25(12-19)18(28)15-10-24-5-1-13(15)2-6-24/h3,7,9,13,15,29H,1-2,4-6,8,10-12H2,(H,20,27)
InChIKeyHICSQRQPXDXOKK-UHFFFAOYSA-N
MW399.46 g/mol
LogP-0.84
Rot. Bonds4

About N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide

N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide (PubChem CID 167968706) has the molecular formula C19H25N7O3 and a molecular weight of 399.46 g/mol. Its IUPAC name is N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
PubChem CID167968706
Molecular FormulaC19H25N7O3
Molecular Weight399.46 g/mol
Exact Mass399.20
IUPAC NameN-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide
SMILESO=C(NCC1(O)CCN(C(=O)C2CN3CCC2CC3)C1)c1ccn2nnnc2c1
InChIInChI=1S/C19H25N7O3/c27-17(14-3-7-26-16(9-14)21-22-23-26)20-11-19(29)4-8-25(12-19)18(28)15-10-24-5-1-13(15)2-6-24/h3,7,9,13,15,29H,1-2,4-6,8,10-12H2,(H,20,27)
InChIKeyHICSQRQPXDXOKK-UHFFFAOYSA-N
XLogP-0.84
TPSA115.96 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.46
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The IUPAC name of N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide (CID 167968706) is N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide.
What is the SMILES notation for N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The canonical SMILES for N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide is O=C(NCC1(O)CCN(C(=O)C2CN3CCC2CC3)C1)c1ccn2nnnc2c1.
What is the InChIKey of N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide?
The InChIKey is HICSQRQPXDXOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N7O3/c27-17(14-3-7-26-16(9-14)21-22-23-26)20-11-19(29)4-8-25(12-19)18(28)15-10-24-5-1-13(15)2-6-24/h3,7,9,13,15,29H,1-2,4-6,8,10-12H2,(H,20,27).
What are the key properties of N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide?
N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide has a molecular weight of 399.46 g/mol, XLogP of -0.84, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-azabicyclo[2.2.2]octane-3-carbonyl)-3-hydroxypyrrolidin-3-yl]methyl]tetrazolo[1,5-a]pyridine-7-carboxamide is sourced from PubChem (CID 167968706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).