[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone

C15H24N4O — CID 63175115

IUPAC[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(NC)ccn2)C1
InChIInChI=1S/C15H24N4O/c1-4-18(5-2)13-7-9-19(11-13)15(20)14-10-12(16-3)6-8-17-14/h6,8,10,13H,4-5,7,9,11H2,1-3H3,(H,16,17)
InChIKeyPNFLKXRUJWLMKK-UHFFFAOYSA-N
MW276.38 g/mol
LogP1.68
Rot. Bonds5

About [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone

[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone (PubChem CID 63175115) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone.

Molecular Properties

Compound Name[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
PubChem CID63175115
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2cc(NC)ccn2)C1
InChIInChI=1S/C15H24N4O/c1-4-18(5-2)13-7-9-19(11-13)15(20)14-10-12(16-3)6-8-17-14/h6,8,10,13H,4-5,7,9,11H2,1-3H3,(H,16,17)
InChIKeyPNFLKXRUJWLMKK-UHFFFAOYSA-N
XLogP1.68
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-hydroxy-3-methylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 114681646
[4-(methylamino)-2-pyridinyl]-(4-methylpiperidin-1-yl)methanone
CID 62171607
[4-(hydroxymethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 55042246
[4-(1-hydroxyethyl)piperidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone
CID 106837578
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158605
[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 63174668
[4-(dimethylamino)piperidin-1-yl]-[4-(ethylamino)-2-pyridinyl]methanone
CID 62169404
(4,4-dimethylpiperidin-1-yl)-[4-(methylamino)-2-pyridinyl]methanone
CID 62930528
[3-(diethylamino)pyrrolidin-1-yl]-[6-(methylamino)-3-pyridinyl]methanone
CID 63175158
(5-bromo-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63525317
[4-(dimethylamino)piperidin-1-yl]-(4-hydrazinyl-2-pyridinyl)methanone
CID 62243583
N-cyclohexyl-N-ethyl-4-(methylamino)pyridine-2-carboxamide
CID 62167410

Frequently Asked Questions

What is the IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The IUPAC name of [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone (CID 63175115) is [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone.
What is the SMILES notation for [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The canonical SMILES for [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone is CCN(CC)C1CCN(C(=O)c2cc(NC)ccn2)C1.
What is the InChIKey of [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
The InChIKey is PNFLKXRUJWLMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-4-18(5-2)13-7-9-19(11-13)15(20)14-10-12(16-3)6-8-17-14/h6,8,10,13H,4-5,7,9,11H2,1-3H3,(H,16,17).
What are the key properties of [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone?
[3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone has a molecular weight of 276.38 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(diethylamino)pyrrolidin-1-yl]-[4-(methylamino)-2-pyridinyl]methanone is sourced from PubChem (CID 63175115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).