4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

C19H29N3O3 — CID 139367977

IUPAC4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOCC(C)N1C[C@H]2CCC[C@@H](C1)C2(OC)c1ccnc(C(N)=O)c1
InChIInChI=1S/C19H29N3O3/c1-13(12-24-2)22-10-15-5-4-6-16(11-22)19(15,25-3)14-7-8-21-17(9-14)18(20)23/h7-9,13,15-16H,4-6,10-12H2,1-3H3,(H2,20,23)/t13?,15-,16+,19?
InChIKeyARIGEKWTUOOMTO-XFROLERWSA-N
MW347.46 g/mol
LogP1.79
Rot. Bonds6

About 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide

4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (PubChem CID 139367977) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
PubChem CID139367977
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
SMILESCOCC(C)N1C[C@H]2CCC[C@@H](C1)C2(OC)c1ccnc(C(N)=O)c1
InChIInChI=1S/C19H29N3O3/c1-13(12-24-2)22-10-15-5-4-6-16(11-22)19(15,25-3)14-7-8-21-17(9-14)18(20)23/h7-9,13,15-16H,4-6,10-12H2,1-3H3,(H2,20,23)/t13?,15-,16+,19?
InChIKeyARIGEKWTUOOMTO-XFROLERWSA-N
XLogP1.79
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(1S,5R)-9-methoxy-3-[(2R)-1-methoxypropan-2-yl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368219
4-[(1S,5R)-9-methoxy-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368043
4-[(1R,5S)-3-tert-butyl-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368244
4-[(1S,5R)-3-(3,3-difluorocyclobutyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139368018
4-[3-[(1R,5S)-3-bicyclo[3.1.0]hexanyl]-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 161190455
4-(9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl)pyridine-2-carboxamide
CID 139383453
4-[3-(4,4-difluorocyclohexyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 139383253
bis(4-[9-methoxy-3-(3-methoxycyclobutyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide);dihydrochloride
CID 162106098
4-[(1R,5S)-3-(1H-imidazol-2-ylmethyl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;hydrochloride
CID 139368147
4-[9-methoxy-3-[(6-oxopiperidin-2-yl)methyl]-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 155295648
4-[(1R,5S)-9-methoxy-3-(pyridin-2-ylmethyl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide;dihydrochloride
CID 139368237
4-[3-(4-fluorooxan-4-yl)-9-methoxy-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide
CID 154622942

Frequently Asked Questions

What is the IUPAC name of 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide (CID 139367977) is 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is COCC(C)N1C[C@H]2CCC[C@@H](C1)C2(OC)c1ccnc(C(N)=O)c1.
What is the InChIKey of 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
The InChIKey is ARIGEKWTUOOMTO-XFROLERWSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-13(12-24-2)22-10-15-5-4-6-16(11-22)19(15,25-3)14-7-8-21-17(9-14)18(20)23/h7-9,13,15-16H,4-6,10-12H2,1-3H3,(H2,20,23)/t13?,15-,16+,19?.
What are the key properties of 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide?
4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,5R)-9-methoxy-3-(1-methoxypropan-2-yl)-3-azabicyclo[3.3.1]nonan-9-yl]pyridine-2-carboxamide is sourced from PubChem (CID 139367977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).