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

C22H21N3O2 — CID 109166024

IUPACN-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C22H21N3O2/c26-22(17-12-13-23-21(16-17)25-14-6-7-15-25)24-19-10-4-5-11-20(19)27-18-8-2-1-3-9-18/h1-5,8-13,16H,6-7,14-15H2,(H,24,26)
InChIKeyYDFWPBOFAALYHH-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.73
Rot. Bonds5

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

N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide (PubChem CID 109166024) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
PubChem CID109166024
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)c1ccnc(N2CCCC2)c1
InChIInChI=1S/C22H21N3O2/c26-22(17-12-13-23-21(16-17)25-14-6-7-15-25)24-19-10-4-5-11-20(19)27-18-8-2-1-3-9-18/h1-5,8-13,16H,6-7,14-15H2,(H,24,26)
InChIKeyYDFWPBOFAALYHH-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

4-(azepan-1-yl)-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109218712
N-(2-phenoxyphenyl)-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 60525572
2-methylsulfanyl-N-(2-phenoxyphenyl)pyridine-4-carboxamide
CID 60564666
N-pyridin-2-yl-2-pyrrolidin-1-ylpyridine-4-carboxamide
CID 84574823
ethyl 4-[4-[(2-methoxyphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxylate
CID 109174336
2-fluoro-N-[2-(4-methylphenoxy)phenyl]pyridine-4-carboxamide
CID 60565493
N-(2-methoxyphenyl)-2-[4-[(3-methoxyphenyl)methylcarbamoyl]piperidin-1-yl]pyridine-4-carboxamide
CID 46360662
2-N,2-N-diethyl-4-N-(2-phenoxyphenyl)pyridine-2,4-dicarboxamide
CID 109088996
N-(2-phenoxyphenyl)-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883965
2-[4-[(2-ethylphenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360651
2-[4-[(4-fluorophenyl)carbamoyl]piperidin-1-yl]-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 46360654
N-(2,5-dichlorophenyl)-2-piperidin-1-ylpyridine-4-carboxamide
CID 109166252

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide (CID 109166024) is N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)c1ccnc(N2CCCC2)c1.
What is the InChIKey of N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide?
The InChIKey is YDFWPBOFAALYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(17-12-13-23-21(16-17)25-14-6-7-15-25)24-19-10-4-5-11-20(19)27-18-8-2-1-3-9-18/h1-5,8-13,16H,6-7,14-15H2,(H,24,26).
What are the key properties of N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide?
N-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-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-(2-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-4-carboxamide is sourced from PubChem (CID 109166024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).