4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

C83H119N13O12 — CID 158591684

IUPAC4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCC3(CC1)COC3)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCCOC1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CN(C(C)=O)C1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN([C@H]1CCCOC1)C2
InChIInChI=1S/C23H33N3O3.C20H28N4O3.2C20H29N3O3/c1-28-23(16-7-10-25-20(11-16)21(24)27)17-3-2-4-18(23)13-26(12-17)19-5-8-22(9-6-19)14-29-15-22;1-13(25)23-11-17(12-23)24-9-15-4-3-5-16(10-24)20(15,27-2)14-6-7-22-18(8-14)19(21)26;2*1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)17-6-3-9-26-13-17/h7,10-11,17-19H,2-6,8-9,12-15H2,1H3,(H2,24,27);6-8,15-17H,3-5,9-12H2,1-2H3,(H2,21,26);2*7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24)/t;;15?,16?,17-,20?;/m..0./s1
InChIKeyHUNCIRIGCZWAJN-NSRJABCOSA-N
MW1490.94 g/mol
LogP7.56
Rot. Bonds16

About 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (PubChem CID 158591684) has the molecular formula C83H119N13O12 and a molecular weight of 1490.94 g/mol. Its IUPAC name is 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
PubChem CID158591684
Molecular FormulaC83H119N13O12
Molecular Weight1490.94 g/mol
Exact Mass1489.91
IUPAC Name4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCC3(CC1)COC3)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCCOC1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CN(C(C)=O)C1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN([C@H]1CCCOC1)C2
InChIInChI=1S/C23H33N3O3.C20H28N4O3.2C20H29N3O3/c1-28-23(16-7-10-25-20(11-16)21(24)27)17-3-2-4-18(23)13-26(12-17)19-5-8-22(9-6-19)14-29-15-22;1-13(25)23-11-17(12-23)24-9-15-4-3-5-16(10-24)20(15,27-2)14-6-7-22-18(8-14)19(21)26;2*1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)17-6-3-9-26-13-17/h7,10-11,17-19H,2-6,8-9,12-15H2,1H3,(H2,24,27);6-8,15-17H,3-5,9-12H2,1-2H3,(H2,21,26);2*7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24)/t;;15?,16?,17-,20?;/m..0./s1
InChIKeyHUNCIRIGCZWAJN-NSRJABCOSA-N
XLogP7.56
TPSA321.80 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms108
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001490.94
LogP ≤ 57.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (CID 158591684) is 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCC3(CC1)COC3)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CCCOC1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN(C1CN(C(C)=O)C1)C2.COC1(c2ccnc(C(N)=O)c2)C2CCCC1CN([C@H]1CCCOC1)C2.
What is the InChIKey of 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The InChIKey is HUNCIRIGCZWAJN-NSRJABCOSA-N. The full InChI is InChI=1S/C23H33N3O3.C20H28N4O3.2C20H29N3O3/c1-28-23(16-7-10-25-20(11-16)21(24)27)17-3-2-4-18(23)13-26(12-17)19-5-8-22(9-6-19)14-29-15-22;1-13(25)23-11-17(12-23)24-9-15-4-3-5-16(10-24)20(15,27-2)14-6-7-22-18(8-14)19(21)26;2*1-25-20(14-7-8-22-18(10-14)19(21)24)15-4-2-5-16(20)12-23(11-15)17-6-3-9-26-13-17/h7,10-11,17-19H,2-6,8-9,12-15H2,1H3,(H2,24,27);6-8,15-17H,3-5,9-12H2,1-2H3,(H2,21,26);2*7-8,10,15-17H,2-6,9,11-13H2,1H3,(H2,21,24)/t;;15?,16?,17-,20?;/m..0./s1.
What are the key properties of 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide has a molecular weight of 1490.94 g/mol, XLogP of 7.56, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1-acetylazetidin-3-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(oxan-3-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-[(3S)-oxan-3-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;4-[9-methoxy-3-(2-oxaspiro[3.5]nonan-7-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is sourced from PubChem (CID 158591684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).