N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

C21H22FN3O2 — CID 156610325

IUPACN-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2ccncc2)C3)cc1F
InChIInChI=1S/C21H22FN3O2/c1-13-2-3-15(10-19(13)22)21(27)25-17-4-5-18(25)12-16(11-17)24-20(26)14-6-8-23-9-7-14/h2-3,6-10,16-18H,4-5,11-12H2,1H3,(H,24,26)
InChIKeyGTCZEKHIJGPQGQ-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.09
Rot. Bonds3

About N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide (PubChem CID 156610325) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
PubChem CID156610325
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC NameN-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
SMILESCc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2ccncc2)C3)cc1F
InChIInChI=1S/C21H22FN3O2/c1-13-2-3-15(10-19(13)22)21(27)25-17-4-5-18(25)12-16(11-17)24-20(26)14-6-8-23-9-7-14/h2-3,6-10,16-18H,4-5,11-12H2,1H3,(H,24,26)
InChIKeyGTCZEKHIJGPQGQ-UHFFFAOYSA-N
XLogP3.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,5R)-8-(3-fluoro-4-methoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912326
N-[(1R,5S)-8-(3,4,5-trimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912344
N-[8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 156610236
N-[(1R,5S)-8-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912256
N-[(1R,5S)-8-(2-methoxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 110876575
N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 156610232
[3-(cyclopropylmethylidene)-8-azabicyclo[3.2.1]octan-8-yl]-(3-fluoro-4-methylphenyl)methanone
CID 139029032
N-[(1R,5S)-8-(1-ethylpyrazole-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-4-fluorobenzamide
CID 91912186
3-[(3-fluoro-4-methylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 66032533
(3-bromo-8-azabicyclo[3.2.1]octan-8-yl)-(4-fluoro-3-methylphenyl)methanone
CID 80678510
(3-fluoro-4-methylphenyl)-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121165031
4-fluoro-3-methyl-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzamide
CID 65470275

Frequently Asked Questions

What is the IUPAC name of N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide (CID 156610325) is N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide is Cc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2ccncc2)C3)cc1F.
What is the InChIKey of N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
The InChIKey is GTCZEKHIJGPQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c1-13-2-3-15(10-19(13)22)21(27)25-17-4-5-18(25)12-16(11-17)24-20(26)14-6-8-23-9-7-14/h2-3,6-10,16-18H,4-5,11-12H2,1H3,(H,24,26).
What are the key properties of N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide has a molecular weight of 367.42 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 156610325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).