[4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone

C19H23N3O — CID 126423282

IUPAC[4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone
SMILESCCC[C@@H]1CCCN1C(=O)c1ccc(-c2cc(N)ccn2)cc1
InChIInChI=1S/C19H23N3O/c1-2-4-17-5-3-12-22(17)19(23)15-8-6-14(7-9-15)18-13-16(20)10-11-21-18/h6-11,13,17H,2-5,12H2,1H3,(H2,20,21)/t17-/m1/s1
InChIKeyUPGFXDLMLVOWIR-QGZVFWFLSA-N
MW309.41 g/mol
LogP3.74
Rot. Bonds4

About [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone

[4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone (PubChem CID 126423282) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone
PubChem CID126423282
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Name[4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone
SMILESCCC[C@@H]1CCCN1C(=O)c1ccc(-c2cc(N)ccn2)cc1
InChIInChI=1S/C19H23N3O/c1-2-4-17-5-3-12-22(17)19(23)15-8-6-14(7-9-15)18-13-16(20)10-11-21-18/h6-11,13,17H,2-5,12H2,1H3,(H2,20,21)/t17-/m1/s1
InChIKeyUPGFXDLMLVOWIR-QGZVFWFLSA-N
XLogP3.74
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluorophenyl)-(2-propylpyrrolidin-1-yl)methanone
CID 142034272
phenyl-(2-propylpiperidin-1-yl)methanone
CID 16637839
[4-(6-aminopyrimidin-4-yl)phenyl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 119059801
(3-aminophenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 60973373
(2,4-diaminophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052111
[4-(2-aminoethyl)phenyl]-(2-propylpiperidin-1-yl)methanone
CID 83053387
(4-amino-3-nitrophenyl)-(2-propylpiperidin-1-yl)methanone
CID 83045573
(3-amino-4-methoxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83052501
(2-ethylpyrrolidin-1-yl)-pyridin-4-ylmethanone
CID 84514744
(3-aminophenyl)-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]methanone
CID 62885357
(2-amino-6-chloro-4-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83061829
(5-amino-2-methyl-3-pyridinyl)-(2-propylpiperidin-1-yl)methanone
CID 83053618

Frequently Asked Questions

What is the IUPAC name of [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone?
The IUPAC name of [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone (CID 126423282) is [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone is CCC[C@@H]1CCCN1C(=O)c1ccc(-c2cc(N)ccn2)cc1.
What is the InChIKey of [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone?
The InChIKey is UPGFXDLMLVOWIR-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-4-17-5-3-12-22(17)19(23)15-8-6-14(7-9-15)18-13-16(20)10-11-21-18/h6-11,13,17H,2-5,12H2,1H3,(H2,20,21)/t17-/m1/s1.
What are the key properties of [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone?
[4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-amino-2-pyridinyl)phenyl]-[(2R)-2-propylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 126423282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).