N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

C22H24ClN3O3 — CID 91912343

IUPACN-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccncc2)C3)cc1Cl
InChIInChI=1S/C22H24ClN3O3/c1-29-20-5-2-14(10-19(20)23)11-21(27)26-17-3-4-18(26)13-16(12-17)25-22(28)15-6-8-24-9-7-15/h2,5-10,16-18H,3-4,11-13H2,1H3,(H,25,28)/t16?,17-,18+
InChIKeyHADDEVLRGBAXMJ-AYHJJNSGSA-N
MW413.91 g/mol
LogP3.24
Rot. Bonds5

About N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide

N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide (PubChem CID 91912343) has the molecular formula C22H24ClN3O3 and a molecular weight of 413.91 g/mol. Its IUPAC name is N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
PubChem CID91912343
Molecular FormulaC22H24ClN3O3
Molecular Weight413.91 g/mol
Exact Mass413.15
IUPAC NameN-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
SMILESCOc1ccc(CC(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccncc2)C3)cc1Cl
InChIInChI=1S/C22H24ClN3O3/c1-29-20-5-2-14(10-19(20)23)11-21(27)26-17-3-4-18(26)13-16(12-17)25-22(28)15-6-8-24-9-7-15/h2,5-10,16-18H,3-4,11-13H2,1H3,(H,25,28)/t16?,17-,18+
InChIKeyHADDEVLRGBAXMJ-AYHJJNSGSA-N
XLogP3.24
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.91
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

N-[8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
CID 156610218
N-[(1R,5S)-8-(2-methoxyacetyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 110876575
N-[(1R,5S)-8-(3,4,5-trimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912344
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-(2,4-dimethoxybenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 91912256
N-[8-(2,5-dimethoxyphenyl)sulfonyl-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 156610220
N-[(1R,4R,6S)-2-[2-(3-chloro-4-methoxyphenyl)acetyl]-2-azabicyclo[2.2.1]heptan-6-yl]benzamide
CID 53184777
2-(3,4-dimethoxyphenyl)-1-(3-methylsulfanyl-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 90615901
N-[8-(cycloheptanecarbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 156610232
4-N-(3-chloro-4-methoxyphenyl)-1-N-cyclopropylbenzene-1,4-dicarboxamide
CID 109043380
2-(3,4-dimethoxyphenyl)-1-(3-pyridin-3-yloxy-8-azabicyclo[3.2.1]octan-8-yl)ethanone
CID 121185936
N-[8-(3-fluoro-4-methylbenzoyl)-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide
CID 156610325

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide (CID 91912343) is N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide is COc1ccc(CC(=O)N2[C@@H]3CC[C@H]2CC(NC(=O)c2ccncc2)C3)cc1Cl.
What is the InChIKey of N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
The InChIKey is HADDEVLRGBAXMJ-AYHJJNSGSA-N. The full InChI is InChI=1S/C22H24ClN3O3/c1-29-20-5-2-14(10-19(20)23)11-21(27)26-17-3-4-18(26)13-16(12-17)25-22(28)15-6-8-24-9-7-15/h2,5-10,16-18H,3-4,11-13H2,1H3,(H,25,28)/t16?,17-,18+.
What are the key properties of N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide?
N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide has a molecular weight of 413.91 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-[2-(3-chloro-4-methoxyphenyl)acetyl]-8-azabicyclo[3.2.1]octan-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 91912343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).