4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

C19H23N3O2 — CID 119531895

IUPAC4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1cc(Oc2ccccc2)ccn1)C1CCNC1
InChIInChI=1S/C19H23N3O2/c1-2-12-22(15-8-10-20-14-15)19(23)18-13-17(9-11-21-18)24-16-6-4-3-5-7-16/h3-7,9,11,13,15,20H,2,8,10,12,14H2,1H3
InChIKeyLMZVFHACOZYWAH-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.09
Rot. Bonds6

About 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide

4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (PubChem CID 119531895) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
PubChem CID119531895
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide
SMILESCCCN(C(=O)c1cc(Oc2ccccc2)ccn1)C1CCNC1
InChIInChI=1S/C19H23N3O2/c1-2-12-22(15-8-10-20-14-15)19(23)18-13-17(9-11-21-18)24-16-6-4-3-5-7-16/h3-7,9,11,13,15,20H,2,8,10,12,14H2,1H3
InChIKeyLMZVFHACOZYWAH-UHFFFAOYSA-N
XLogP3.09
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-phenoxy-N-piperidin-4-yl-N-propylpyridine-2-carboxamide
CID 119825107
N-methyl-4-phenoxy-N-piperidin-4-ylpyridine-2-carboxamide
CID 119443292
2-methyl-N-propyl-N-pyrrolidin-3-ylpyridine-4-carboxamide
CID 106753627
N-propyl-N-pyrrolidin-3-ylquinoxaline-2-carboxamide
CID 103806535
3-methoxy-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119533031
3-(3-methoxypropoxy)-N-propyl-N-pyrrolidin-3-ylbenzamide;hydrochloride
CID 119530577
1-N,1-N-dimethyl-3-N-propyl-3-N-pyrrolidin-3-ylbenzene-1,3-dicarboxamide
CID 119533174
5-bromo-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide;dihydrochloride
CID 119531290
N-propyl-5-pyridin-3-yl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119532386
N-propyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridine-2-carboxamide
CID 115737122
1-benzyl-6-oxo-N-propyl-N-pyrrolidin-3-ylpyridazine-3-carboxamide
CID 119532868
5-[(2,6-dichlorophenoxy)methyl]-N-propyl-N-pyrrolidin-3-yl-1,2-oxazole-3-carboxamide
CID 119533285

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The IUPAC name of 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide (CID 119531895) is 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The canonical SMILES for 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is CCCN(C(=O)c1cc(Oc2ccccc2)ccn1)C1CCNC1.
What is the InChIKey of 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
The InChIKey is LMZVFHACOZYWAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-12-22(15-8-10-20-14-15)19(23)18-13-17(9-11-21-18)24-16-6-4-3-5-7-16/h3-7,9,11,13,15,20H,2,8,10,12,14H2,1H3.
What are the key properties of 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide?
4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-propyl-N-pyrrolidin-3-ylpyridine-2-carboxamide is sourced from PubChem (CID 119531895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).