[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

C13H19N3O — CID 60722911

IUPAC[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCCNc1ccc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C13H19N3O/c1-2-7-14-12-6-5-11(10-15-12)13(17)16-8-3-4-9-16/h5-6,10H,2-4,7-9H2,1H3,(H,14,15)
InChIKeyIUKSVUSVZYMMMC-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.14
Rot. Bonds4

About [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone

[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (PubChem CID 60722911) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
PubChem CID60722911
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone
SMILESCCCNc1ccc(C(=O)N2CCCC2)cn1
InChIInChI=1S/C13H19N3O/c1-2-7-14-12-6-5-11(10-15-12)13(17)16-8-3-4-9-16/h5-6,10H,2-4,7-9H2,1H3,(H,14,15)
InChIKeyIUKSVUSVZYMMMC-UHFFFAOYSA-N
XLogP2.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-[6-(propylamino)-3-pyridinyl]methanone
CID 62172577
(4-ethylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62172305
(4-cyclopropylpiperazin-1-yl)-[6-(propylamino)-3-pyridinyl]methanone
CID 62177305
[4-(dimethylamino)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 62169915
[3-(2-hydroxyethyl)piperidin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 107228678
[4-(2-methoxyphenyl)piperazin-1-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 109151195
[6-[(1-ethylpiperidin-2-yl)methylamino]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 131923003
[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-[6-(propylamino)-3-pyridinyl]methanone
CID 102936156
N-methyl-6-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 63208830
azepan-1-yl-[6-[2-(3-chlorophenyl)ethylamino]-3-pyridinyl]methanone
CID 109161934
piperidin-1-yl-[6-(propylamino)pyridazin-3-yl]methanone
CID 55042849
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955

Frequently Asked Questions

What is the IUPAC name of [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone (CID 60722911) is [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is CCCNc1ccc(C(=O)N2CCCC2)cn1.
What is the InChIKey of [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
The InChIKey is IUKSVUSVZYMMMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-2-7-14-12-6-5-11(10-15-12)13(17)16-8-3-4-9-16/h5-6,10H,2-4,7-9H2,1H3,(H,14,15).
What are the key properties of [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone?
[6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone has a molecular weight of 233.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(propylamino)-3-pyridinyl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 60722911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).