N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide

C22H24N4O3 — CID 172671823

IUPACN-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide
SMILESCc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)cc1NC(=O)Cc1ccncc1
InChIInChI=1S/C22H24N4O3/c1-14-2-3-16(11-19(14)25-20(27)10-15-6-8-23-9-7-15)22(29)26-12-17-4-5-18(13-26)24-21(17)28/h2-3,6-9,11,17-18H,4-5,10,12-13H2,1H3,(H,24,28)(H,25,27)/t17-,18+/m1/s1
InChIKeyFTAGSGLZBKCVKH-MSOLQXFVSA-N
MW392.46 g/mol
LogP1.92
Rot. Bonds4

About N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide

N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide (PubChem CID 172671823) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide
PubChem CID172671823
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide
SMILESCc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)cc1NC(=O)Cc1ccncc1
InChIInChI=1S/C22H24N4O3/c1-14-2-3-16(11-19(14)25-20(27)10-15-6-8-23-9-7-15)22(29)26-12-17-4-5-18(13-26)24-21(17)28/h2-3,6-9,11,17-18H,4-5,10,12-13H2,1H3,(H,24,28)(H,25,27)/t17-,18+/m1/s1
InChIKeyFTAGSGLZBKCVKH-MSOLQXFVSA-N
XLogP1.92
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[(1S,5R)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]ethanesulfonamide
CID 133260607
(1R,5S)-3-[4-(4-methoxy-2-methylphenyl)benzoyl]-3,6-diazabicyclo[3.2.2]nonan-7-one
CID 119070714
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(3,5-dimethylpyrazol-1-yl)acetamide
CID 55895763
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55895384
N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-4-ylpropanamide
CID 131936206
3,8-diazabicyclo[3.2.1]octan-3-yl(pyridin-4-yl)methanone
CID 171922173
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-2-(4-fluorophenoxy)acetamide
CID 55895000
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]-4-methoxybutanamide
CID 51088341
4-methyl-N-(2-methyl-3-methylsulfonylphenyl)-3-[(2-pyridin-4-ylacetyl)amino]benzamide
CID 167793989
N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]piperidine-3-carboxamide
CID 119286388
(3S)-N-[5-[(3R,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-methylphenyl]pyrrolidine-3-carboxamide
CID 124889380
3-[[benzyl(methyl)carbamoyl]amino]-N-[5-(3,5-dimethylpiperidine-1-carbonyl)-2-methylphenyl]propanamide
CID 56512790

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide?
The IUPAC name of N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide (CID 172671823) is N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide?
The canonical SMILES for N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide is Cc1ccc(C(=O)N2C[C@@H]3CC[C@H](C2)C(=O)N3)cc1NC(=O)Cc1ccncc1.
What is the InChIKey of N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide?
The InChIKey is FTAGSGLZBKCVKH-MSOLQXFVSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-14-2-3-16(11-19(14)25-20(27)10-15-6-8-23-9-7-15)22(29)26-12-17-4-5-18(13-26)24-21(17)28/h2-3,6-9,11,17-18H,4-5,10,12-13H2,1H3,(H,24,28)(H,25,27)/t17-,18+/m1/s1.
What are the key properties of N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide?
N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide has a molecular weight of 392.46 g/mol, XLogP of 1.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(1R,5S)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]phenyl]-2-pyridin-4-ylacetamide is sourced from PubChem (CID 172671823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).