N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide

C21H25N3O2 — CID 163314602

IUPACN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide
SMILESCOc1cnccc1-c1ccc(C(=O)N[C@H]2CCCN3CCC[C@@H]23)cc1
InChIInChI=1S/C21H25N3O2/c1-26-20-14-22-11-10-17(20)15-6-8-16(9-7-15)21(25)23-18-4-2-12-24-13-3-5-19(18)24/h6-11,14,18-19H,2-5,12-13H2,1H3,(H,23,25)/t18-,19-/m0/s1
InChIKeyFBFFXKKZDRUHHD-OALUTQOASA-N
MW351.45 g/mol
LogP3.11
Rot. Bonds4

About N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide

N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide (PubChem CID 163314602) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide
PubChem CID163314602
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide
SMILESCOc1cnccc1-c1ccc(C(=O)N[C@H]2CCCN3CCC[C@@H]23)cc1
InChIInChI=1S/C21H25N3O2/c1-26-20-14-22-11-10-17(20)15-6-8-16(9-7-15)21(25)23-18-4-2-12-24-13-3-5-19(18)24/h6-11,14,18-19H,2-5,12-13H2,1H3,(H,23,25)/t18-,19-/m0/s1
InChIKeyFBFFXKKZDRUHHD-OALUTQOASA-N
XLogP3.11
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-methoxy-4-pyridinyl)-N-(2-oxopiperidin-3-yl)benzamide
CID 163309986
4-(3-methoxy-4-pyridinyl)-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 163310129
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-4-sulfanylbenzamide
CID 107025894
[4-(3-methoxy-4-pyridinyl)phenyl]-(4-pyridin-4-ylpiperazin-1-yl)methanone
CID 162632308
N-[(1R,2R)-2-hydroxycyclohexyl]-3-methoxypyridine-4-carboxamide
CID 102739207
[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 164699560
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1H-pyrazole-4-carboxamide
CID 61258528
formic acid;[4-(3-methoxy-4-pyridinyl)phenyl]-[3-(2-methylpiperidin-1-yl)azetidin-1-yl]methanone
CID 171317439
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-3-hydrazinylpyridine-4-carboxamide
CID 105071836
N-[(1S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-methoxy-3-nitrobenzamide
CID 94814193
N-(2-bromocyclopentyl)-3-methoxypyridine-4-carboxamide
CID 105063711
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-4-methylsulfanylbenzamide
CID 78876366

Frequently Asked Questions

What is the IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide?
The IUPAC name of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide (CID 163314602) is N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide.
What is the SMILES notation for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide?
The canonical SMILES for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide is COc1cnccc1-c1ccc(C(=O)N[C@H]2CCCN3CCC[C@@H]23)cc1.
What is the InChIKey of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide?
The InChIKey is FBFFXKKZDRUHHD-OALUTQOASA-N. The full InChI is InChI=1S/C21H25N3O2/c1-26-20-14-22-11-10-17(20)15-6-8-16(9-7-15)21(25)23-18-4-2-12-24-13-3-5-19(18)24/h6-11,14,18-19H,2-5,12-13H2,1H3,(H,23,25)/t18-,19-/m0/s1.
What are the key properties of N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide?
N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(8S,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]-4-(3-methoxy-4-pyridinyl)benzamide is sourced from PubChem (CID 163314602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).