N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide

C20H30N4O3 — CID 136542362

IUPACN-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1cccc(C(=O)NC2CC3CCC(C2)N3CC(=O)N(C)C)n1
InChIInChI=1S/C20H30N4O3/c1-13(2)27-18-7-5-6-17(22-18)20(26)21-14-10-15-8-9-16(11-14)24(15)12-19(25)23(3)4/h5-7,13-16H,8-12H2,1-4H3,(H,21,26)
InChIKeyVZIRHTDXEQSKLB-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.68
Rot. Bonds6

About N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide

N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide (PubChem CID 136542362) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide
PubChem CID136542362
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide
SMILESCC(C)Oc1cccc(C(=O)NC2CC3CCC(C2)N3CC(=O)N(C)C)n1
InChIInChI=1S/C20H30N4O3/c1-13(2)27-18-7-5-6-17(22-18)20(26)21-14-10-15-8-9-16(11-14)24(15)12-19(25)23(3)4/h5-7,13-16H,8-12H2,1-4H3,(H,21,26)
InChIKeyVZIRHTDXEQSKLB-UHFFFAOYSA-N
XLogP1.68
TPSA74.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide?
The IUPAC name of N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide (CID 136542362) is N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide.
What is the SMILES notation for N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide?
The canonical SMILES for N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide is CC(C)Oc1cccc(C(=O)NC2CC3CCC(C2)N3CC(=O)N(C)C)n1.
What is the InChIKey of N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide?
The InChIKey is VZIRHTDXEQSKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-13(2)27-18-7-5-6-17(22-18)20(26)21-14-10-15-8-9-16(11-14)24(15)12-19(25)23(3)4/h5-7,13-16H,8-12H2,1-4H3,(H,21,26).
What are the key properties of N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide?
N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-[2-(dimethylamino)-2-oxoethyl]-8-azabicyclo[3.2.1]octan-3-yl]-6-propan-2-yloxypyridine-2-carboxamide is sourced from PubChem (CID 136542362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).