N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide

C20H26FN3O3 — CID 155499690

IUPACN-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide
SMILESCC(C)(C)C(=O)N1C[C@@H]2[C@H](CNC(=O)c3cncc(F)c3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H26FN3O3/c1-19(2,3)18(26)24-10-15-14(16-4-5-20(15,11-24)27-16)9-23-17(25)12-6-13(21)8-22-7-12/h6-8,14-16H,4-5,9-11H2,1-3H3,(H,23,25)/t14-,15+,16+,20+/m0/s1
InChIKeyNZMXDTMKBKTCEI-QCBUCWTNSA-N
MW375.44 g/mol
LogP2.00
Rot. Bonds3

About N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide

N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide (PubChem CID 155499690) has the molecular formula C20H26FN3O3 and a molecular weight of 375.44 g/mol. Its IUPAC name is N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide
PubChem CID155499690
Molecular FormulaC20H26FN3O3
Molecular Weight375.44 g/mol
Exact Mass375.20
IUPAC NameN-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide
SMILESCC(C)(C)C(=O)N1C[C@@H]2[C@H](CNC(=O)c3cncc(F)c3)[C@H]3CC[C@]2(C1)O3
InChIInChI=1S/C20H26FN3O3/c1-19(2,3)18(26)24-10-15-14(16-4-5-20(15,11-24)27-16)9-23-17(25)12-6-13(21)8-22-7-12/h6-8,14-16H,4-5,9-11H2,1-3H3,(H,23,25)/t14-,15+,16+,20+/m0/s1
InChIKeyNZMXDTMKBKTCEI-QCBUCWTNSA-N
XLogP2.00
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.44
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide (CID 155499690) is N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide is CC(C)(C)C(=O)N1C[C@@H]2[C@H](CNC(=O)c3cncc(F)c3)[C@H]3CC[C@]2(C1)O3.
What is the InChIKey of N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is NZMXDTMKBKTCEI-QCBUCWTNSA-N. The full InChI is InChI=1S/C20H26FN3O3/c1-19(2,3)18(26)24-10-15-14(16-4-5-20(15,11-24)27-16)9-23-17(25)12-6-13(21)8-22-7-12/h6-8,14-16H,4-5,9-11H2,1-3H3,(H,23,25)/t14-,15+,16+,20+/m0/s1.
What are the key properties of N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide?
N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 375.44 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1S,5S,6R,7R)-3-(2,2-dimethylpropanoyl)-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 155499690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).