5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide

C22H28ClN3O3 — CID 55854474

IUPAC5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cnc(OC(C)C)c(Cl)c1)N1CCCC1
InChIInChI=1S/C22H28ClN3O3/c1-15(2)29-22-18(23)12-16(13-25-22)21(27)24-14-19(26-10-6-7-11-26)17-8-4-5-9-20(17)28-3/h4-5,8-9,12-13,15,19H,6-7,10-11,14H2,1-3H3,(H,24,27)
InChIKeyNPAIZICNOIIUOL-UHFFFAOYSA-N
MW417.94 g/mol
LogP4.10
Rot. Bonds8

About 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide

5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide (PubChem CID 55854474) has the molecular formula C22H28ClN3O3 and a molecular weight of 417.94 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide
PubChem CID55854474
Molecular FormulaC22H28ClN3O3
Molecular Weight417.94 g/mol
Exact Mass417.18
IUPAC Name5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide
SMILESCOc1ccccc1C(CNC(=O)c1cnc(OC(C)C)c(Cl)c1)N1CCCC1
InChIInChI=1S/C22H28ClN3O3/c1-15(2)29-22-18(23)12-16(13-25-22)21(27)24-14-19(26-10-6-7-11-26)17-8-4-5-9-20(17)28-3/h4-5,8-9,12-13,15,19H,6-7,10-11,14H2,1-3H3,(H,24,27)
InChIKeyNPAIZICNOIIUOL-UHFFFAOYSA-N
XLogP4.10
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.94
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 46422201
N-[2-(azepan-1-yl)-2-(2-chlorophenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17012011
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-methylbenzamide
CID 60533969
N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 134025825
methyl 4-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]carbamoyl]benzoate
CID 60533855
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-propan-2-yloxybenzamide
CID 35043648
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide
CID 43006303
N-[(2S)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]furan-3-carboxamide
CID 30522983
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529
3-fluoro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-methylbenzamide
CID 43044899
N-[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41187538
3-methoxy-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]-4-prop-2-enoxybenzamide
CID 55950107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide (CID 55854474) is 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide is COc1ccccc1C(CNC(=O)c1cnc(OC(C)C)c(Cl)c1)N1CCCC1.
What is the InChIKey of 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide?
The InChIKey is NPAIZICNOIIUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28ClN3O3/c1-15(2)29-22-18(23)12-16(13-25-22)21(27)24-14-19(26-10-6-7-11-26)17-8-4-5-9-20(17)28-3/h4-5,8-9,12-13,15,19H,6-7,10-11,14H2,1-3H3,(H,24,27).
What are the key properties of 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide?
5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide has a molecular weight of 417.94 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-propan-2-yloxypyridine-3-carboxamide is sourced from PubChem (CID 55854474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).