N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

C23H23N3O2 — CID 109152128

IUPACN-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C23H23N3O2/c27-23(19-8-13-22(24-16-19)26-14-4-5-15-26)25-20-9-11-21(12-10-20)28-17-18-6-2-1-3-7-18/h1-3,6-13,16H,4-5,14-15,17H2,(H,25,27)
InChIKeyJYCMNWWXSUVKPB-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.51
Rot. Bonds6

About N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide

N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 109152128) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID109152128
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC NameN-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCCC2)nc1
InChIInChI=1S/C23H23N3O2/c27-23(19-8-13-22(24-16-19)26-14-4-5-15-26)25-20-9-11-21(12-10-20)28-17-18-6-2-1-3-7-18/h1-3,6-13,16H,4-5,14-15,17H2,(H,25,27)
InChIKeyJYCMNWWXSUVKPB-UHFFFAOYSA-N
XLogP4.51
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-phenylmethoxyphenyl)-6-piperidin-1-ylpyridine-3-carboxamide
CID 109152321
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
2-(4-phenylmethoxyphenoxy)-N-(6-pyrrolidin-1-yl-3-pyridinyl)acetamide
CID 134035859
4-ethoxy-N-(6-pyrrolidin-1-yl-3-pyridinyl)benzamide
CID 41303356
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
6-morpholin-4-yl-N-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 109153445
5-(phenoxymethyl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)furan-2-carboxamide
CID 43041629
6-(azepan-1-yl)-N-[4-[(1R,2S)-2-hydroxycyclohexyl]oxyphenyl]pyridine-3-carboxamide
CID 99809452
N-(4-phenylmethoxyphenyl)-4-(pyrrolidin-1-ylsulfonylmethyl)benzamide
CID 28633511
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617
5-chloro-N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47038396
N-(4-ethoxyphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17454919

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide (CID 109152128) is N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2CCCC2)nc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is JYCMNWWXSUVKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c27-23(19-8-13-22(24-16-19)26-14-4-5-15-26)25-20-9-11-21(12-10-20)28-17-18-6-2-1-3-7-18/h1-3,6-13,16H,4-5,14-15,17H2,(H,25,27).
What are the key properties of N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide?
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 109152128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).