(1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

C21H26N4O2 — CID 118770858

IUPAC(1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN1C[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(OCc3ccccn3)cc1)C2
InChIInChI=1S/C21H26N4O2/c1-24-12-16-5-8-19(24)14-25(13-16)21(26)23-17-6-9-20(10-7-17)27-15-18-4-2-3-11-22-18/h2-4,6-7,9-11,16,19H,5,8,12-15H2,1H3,(H,23,26)/t16-,19-/m0/s1
InChIKeyKFEZVZNHUYTDIP-LPHOPBHVSA-N
MW366.47 g/mol
LogP3.22
Rot. Bonds4

About (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide

(1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (PubChem CID 118770858) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.

Molecular Properties

Compound Name(1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
PubChem CID118770858
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name(1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
SMILESCN1C[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(OCc3ccccn3)cc1)C2
InChIInChI=1S/C21H26N4O2/c1-24-12-16-5-8-19(24)14-25(13-16)21(26)23-17-6-9-20(10-7-17)27-15-18-4-2-3-11-22-18/h2-4,6-7,9-11,16,19H,5,8,12-15H2,1H3,(H,23,26)/t16-,19-/m0/s1
InChIKeyKFEZVZNHUYTDIP-LPHOPBHVSA-N
XLogP3.22
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R,5R)-N-(3,4-dimethylphenyl)-6-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide
CID 72913773
(1S,5R)-N-(3-methoxyphenyl)-3-(pyridin-2-ylmethyl)-3,6-diazabicyclo[3.2.2]nonane-6-carboxamide
CID 72841840
3-N-ethyl-1-N-[4-(2-pyridin-2-ylethoxy)phenyl]pyrrolidine-1,3-dicarboxamide
CID 72938452
1-[[4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]cyclopentane-1-carboxylic acid
CID 166284946
1-[[3-fluoro-4-(pyridin-2-ylmethoxy)phenyl]carbamoyl]piperidine-4-carboxylic acid
CID 122086116
[(3S)-3-(methylamino)piperidin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124575554
N-[(1-methylpiperidin-3-yl)methyl]-4-(pyridin-2-ylmethoxy)benzamide
CID 71998635
N-(4-ethoxyphenyl)-3-(pyrimidin-2-ylamino)azetidine-1-carboxamide
CID 121187581
2,6-dimethyl-N-[2-(pyridin-2-ylmethoxy)phenyl]morpholine-4-carboxamide
CID 156609618
[(3S,5S)-3,5-dimethylpiperazin-1-yl]-[4-(pyridin-2-ylmethoxy)phenyl]methanone
CID 124590097
N-[6-(pyridin-2-ylmethoxy)naphthalen-2-yl]acetamide
CID 23356926
N-(4-ethoxyphenyl)-3-(4-phenylpiperidin-1-yl)azetidine-1-carboxamide
CID 23139858

Frequently Asked Questions

What is the IUPAC name of (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The IUPAC name of (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide (CID 118770858) is (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide.
What is the SMILES notation for (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The canonical SMILES for (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is CN1C[C@@H]2CC[C@H]1CN(C(=O)Nc1ccc(OCc3ccccn3)cc1)C2.
What is the InChIKey of (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
The InChIKey is KFEZVZNHUYTDIP-LPHOPBHVSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-24-12-16-5-8-19(24)14-25(13-16)21(26)23-17-6-9-20(10-7-17)27-15-18-4-2-3-11-22-18/h2-4,6-7,9-11,16,19H,5,8,12-15H2,1H3,(H,23,26)/t16-,19-/m0/s1.
What are the key properties of (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide?
(1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5S)-6-methyl-N-[4-(pyridin-2-ylmethoxy)phenyl]-3,6-diazabicyclo[3.2.2]nonane-3-carboxamide is sourced from PubChem (CID 118770858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).