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

C14H22N4O — CID 55158605

IUPAC(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccnc(N)c2)C1
InChIInChI=1S/C14H22N4O/c1-3-17(4-2)12-6-8-18(10-12)14(19)11-5-7-16-13(15)9-11/h5,7,9,12H,3-4,6,8,10H2,1-2H3,(H2,15,16)
InChIKeyNYNQXBPJJLMIFZ-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.22
Rot. Bonds4

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

(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (PubChem CID 55158605) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
PubChem CID55158605
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
SMILESCCN(CC)C1CCN(C(=O)c2ccnc(N)c2)C1
InChIInChI=1S/C14H22N4O/c1-3-17(4-2)12-6-8-18(10-12)14(19)11-5-7-16-13(15)9-11/h5,7,9,12H,3-4,6,8,10H2,1-2H3,(H2,15,16)
InChIKeyNYNQXBPJJLMIFZ-UHFFFAOYSA-N
XLogP1.22
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(diethylamino)pyrrolidin-1-yl]-[2-(ethylamino)-4-pyridinyl]methanone
CID 63174668
(3-aminophenyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119843269
[3-(diethylamino)pyrrolidin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 110441411
(2-amino-4-pyridinyl)-(4-methylpiperidin-1-yl)methanone
CID 62155864
4-[3-(diethylamino)pyrrolidine-1-carbonyl]benzoic acid
CID 63175319
(2-amino-4-pyridinyl)-(4-propylpiperidin-1-yl)methanone
CID 62205465
[3-(diethylamino)pyrrolidin-1-yl]-(3-methylphenyl)methanone
CID 110441497
(3-amino-2-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 104742285
[3-(diethylamino)pyrrolidin-1-yl]-(3-sulfanylphenyl)methanone
CID 107029365
(6-aminopyridazin-3-yl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 55158606
(2,6-dichloro-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone
CID 63165448
(2-amino-4-pyridinyl)-[4-(1-hydroxyethyl)piperidin-1-yl]methanone
CID 106837602

Frequently Asked Questions

What is the IUPAC name of (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone (CID 55158605) is (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is CCN(CC)C1CCN(C(=O)c2ccnc(N)c2)C1.
What is the InChIKey of (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
The InChIKey is NYNQXBPJJLMIFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-3-17(4-2)12-6-8-18(10-12)14(19)11-5-7-16-13(15)9-11/h5,7,9,12H,3-4,6,8,10H2,1-2H3,(H2,15,16).
What are the key properties of (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone?
(2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone has a molecular weight of 262.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-pyridinyl)-[3-(diethylamino)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55158605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).