N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C22H21N3O2 — CID 84575248

IUPACN-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1N1CCCC1
InChIInChI=1S/C22H21N3O2/c26-22(20-9-6-14-23-21(20)25-15-4-5-16-25)24-17-10-12-19(13-11-17)27-18-7-2-1-3-8-18/h1-3,6-14H,4-5,15-16H2,(H,24,26)
InChIKeyYZKFYZZEXYSKOF-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.73
Rot. Bonds5

About N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 84575248) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID84575248
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1N1CCCC1
InChIInChI=1S/C22H21N3O2/c26-22(20-9-6-14-23-21(20)25-15-4-5-16-25)24-17-10-12-19(13-11-17)27-18-7-2-1-3-8-18/h1-3,6-14H,4-5,15-16H2,(H,24,26)
InChIKeyYZKFYZZEXYSKOF-UHFFFAOYSA-N
XLogP4.73
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
2-methyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 110862622
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568
2-methylsulfanyl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 2111300
N-[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 35344149
2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 2794739
2-(azepan-1-yl)-N-(2-chlorophenyl)pyridine-3-carboxamide
CID 84576263
4-phenoxy-N-(4-piperidin-1-ylphenyl)benzamide
CID 7922461
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-(4-phenoxyphenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-4-carboxamide
CID 58346245
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 60553120

Frequently Asked Questions

What is the IUPAC name of N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 84575248) is N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1N1CCCC1.
What is the InChIKey of N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is YZKFYZZEXYSKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(20-9-6-14-23-21(20)25-15-4-5-16-25)24-17-10-12-19(13-11-17)27-18-7-2-1-3-8-18/h1-3,6-14H,4-5,15-16H2,(H,24,26).
What are the key properties of N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 84575248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).