2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide

C23H29N3O — CID 70222610

IUPAC2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide
SMILESCc1ccnc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C
InChIInChI=1S/C23H29N3O/c1-16-11-14-24-17(2)20(16)22(27)25-21(19-7-5-4-6-8-19)23-12-9-18(10-13-23)15-26(23)3/h4-8,11,14,18,21H,9-10,12-13,15H2,1-3H3,(H,25,27)/t18?,21-,23?/m1/s1
InChIKeyVKDBOCQXGUSYGG-JRSYVHTFSA-N
MW363.51 g/mol
LogP4.04
Rot. Bonds4

About 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide

2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide (PubChem CID 70222610) has the molecular formula C23H29N3O and a molecular weight of 363.51 g/mol. Its IUPAC name is 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide
PubChem CID70222610
Molecular FormulaC23H29N3O
Molecular Weight363.51 g/mol
Exact Mass363.23
IUPAC Name2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide
SMILESCc1ccnc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C
InChIInChI=1S/C23H29N3O/c1-16-11-14-24-17(2)20(16)22(27)25-21(19-7-5-4-6-8-19)23-12-9-18(10-13-23)15-26(23)3/h4-8,11,14,18,21H,9-10,12-13,15H2,1-3H3,(H,25,27)/t18?,21-,23?/m1/s1
InChIKeyVKDBOCQXGUSYGG-JRSYVHTFSA-N
XLogP4.04
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

Niaprazine
CID 71919
Nibr-1282
CID 10278617
(2,4-Dimethyl-pyridin-3-yl)-(4-methyl-4-{3-methyl-4-[1-(4-trifluoromethyl-phenyl)-ethyl]-piperazin-1-yl}-piperidin-1-yl)-methanone
CID 464036
N-(3,3-diphenylpropyl)pyridine-3-carboxamide
CID 3530525
Sch 350634
CID 511332
Phenatine
CID 120640
6-(3-Fluorophenyl)-N-[1-(2,2,2-Trifluoroethyl)piperidin-4-Yl]pyridine-3-Carboxamide
CID 24991044
(2,4-Dimethylpyridin-3-yl)(4-methyl-4-(4-(phenyl(pyridin-3-yl)amino)piperidin-1-yl)piperidin-1-yl)methanone
CID 10413034
(4-Isopropyl-piperazin-1-yl)-(6-piperidin-1-ylmethyl-pyridin-3-yl)-methanone
CID 11522780
N-[[4-(2-methyl-4-pyridinyl)phenyl]methyl]-4-phenylbenzamide
CID 56597953
6-Phenyl-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]nicotinamide
CID 59743886
N-(1-(4-cyanobenzyl)piperidin-4-yl)-5-(4-(fluoro(4-fluorophenyl)methyl) piperidine-1-carbonyl)picolinamide
CID 66710312

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide?
The IUPAC name of 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide (CID 70222610) is 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide?
The canonical SMILES for 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide is Cc1ccnc(C)c1C(=O)N[C@H](c1ccccc1)C12CCC(CC1)CN2C.
What is the InChIKey of 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide?
The InChIKey is VKDBOCQXGUSYGG-JRSYVHTFSA-N. The full InChI is InChI=1S/C23H29N3O/c1-16-11-14-24-17(2)20(16)22(27)25-21(19-7-5-4-6-8-19)23-12-9-18(10-13-23)15-26(23)3/h4-8,11,14,18,21H,9-10,12-13,15H2,1-3H3,(H,25,27)/t18?,21-,23?/m1/s1.
What are the key properties of 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide?
2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide has a molecular weight of 363.51 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[(R)-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)-phenylmethyl]pyridine-3-carboxamide is sourced from PubChem (CID 70222610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).