phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone

C19H23N3O — CID 102540070

IUPACphenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCCCNc1ncccc1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-2-12-20-18-16(10-6-13-21-18)17-11-7-14-22(17)19(23)15-8-4-3-5-9-15/h3-6,8-10,13,17H,2,7,11-12,14H2,1H3,(H,20,21)
InChIKeyOCHZIXQISLPVLR-UHFFFAOYSA-N
MW309.41 g/mol
LogP3.88
Rot. Bonds5

About phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone

phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone (PubChem CID 102540070) has the molecular formula C19H23N3O and a molecular weight of 309.41 g/mol. Its IUPAC name is phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namephenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
PubChem CID102540070
Molecular FormulaC19H23N3O
Molecular Weight309.41 g/mol
Exact Mass309.18
IUPAC Namephenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone
SMILESCCCNc1ncccc1C1CCCN1C(=O)c1ccccc1
InChIInChI=1S/C19H23N3O/c1-2-12-20-18-16(10-6-13-21-18)17-11-7-14-22(17)19(23)15-8-4-3-5-9-15/h3-6,8-10,13,17H,2,7,11-12,14H2,1H3,(H,20,21)
InChIKeyOCHZIXQISLPVLR-UHFFFAOYSA-N
XLogP3.88
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[2-(propylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102540084
1-[2-[2-(butylamino)-3-pyridinyl]pyrrolidin-1-yl]ethanone
CID 102540255
[2-(2-anilino-3-pyridinyl)piperidin-1-yl]-phenylmethanone
CID 102540565
[2-(2-methylsulfanyl-3-pyridinyl)pyrrolidin-1-yl]-phenylmethanone
CID 102541984
phenyl-[2-(2-propan-2-yloxy-3-pyridinyl)pyrrolidin-1-yl]methanone
CID 102539451
phenyl-[2-(2-piperidin-1-yl-3-pyridinyl)piperidin-1-yl]methanone
CID 102541555
3-(1-benzylpyrrolidin-2-yl)-N-butylpyridin-2-amine
CID 102540253
(2-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172000
2-[2-(butylamino)-3-pyridinyl]pyrrolidine-1-carbaldehyde
CID 102540252
[2-(2-chlorophenyl)pyrrolidin-1-yl]-phenylmethanone
CID 61061635
(3-methylpiperidin-1-yl)-[2-(propylamino)-3-pyridinyl]methanone
CID 62172051
1-[2-[2-(methylamino)-3-pyridinyl]piperidin-1-yl]ethanone
CID 102539767

Frequently Asked Questions

What is the IUPAC name of phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone?
The IUPAC name of phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone (CID 102540070) is phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone is CCCNc1ncccc1C1CCCN1C(=O)c1ccccc1.
What is the InChIKey of phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone?
The InChIKey is OCHZIXQISLPVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O/c1-2-12-20-18-16(10-6-13-21-18)17-11-7-14-22(17)19(23)15-8-4-3-5-9-15/h3-6,8-10,13,17H,2,7,11-12,14H2,1H3,(H,20,21).
What are the key properties of phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone?
phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone has a molecular weight of 309.41 g/mol, XLogP of 3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[2-[2-(propylamino)-3-pyridinyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 102540070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).