[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride

C17H30Cl2N4O — CID 119540285

IUPAC[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)N2CCC(CNC)C2)cn1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-4-9-20(5-2)16-7-6-15(12-19-16)17(22)21-10-8-14(13-21)11-18-3;;/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3;2*1H
InChIKeyAQGNIUNAFLDRDW-UHFFFAOYSA-N
MW377.36 g/mol
LogP2.84
Rot. Bonds7

About [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride

[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride (PubChem CID 119540285) has the molecular formula C17H30Cl2N4O and a molecular weight of 377.36 g/mol. Its IUPAC name is [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride.

Molecular Properties

Compound Name[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
PubChem CID119540285
Molecular FormulaC17H30Cl2N4O
Molecular Weight377.36 g/mol
Exact Mass376.18
IUPAC Name[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
SMILESCCCN(CC)c1ccc(C(=O)N2CCC(CNC)C2)cn1.Cl.Cl
InChIInChI=1S/C17H28N4O.2ClH/c1-4-9-20(5-2)16-7-6-15(12-19-16)17(22)21-10-8-14(13-21)11-18-3;;/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3;2*1H
InChIKeyAQGNIUNAFLDRDW-UHFFFAOYSA-N
XLogP2.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride 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-(methylaminomethyl)pyrrolidin-1-yl]-(4-propylphenyl)methanone;hydrochloride
CID 119541577
2-[1-[6-(diethylamino)pyridine-3-carbonyl]piperidin-4-yl]acetamide
CID 48677877
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 139012669
(5-bromo-3-pyridinyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride
CID 119541646
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
(4-fluorophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 63264042
(4-iodophenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168665
[(3R)-3-aminopyrrolidin-1-yl]-[4-[ethyl(propyl)amino]phenyl]methanone;dihydrochloride
CID 119409534
[4-[ethyl(propyl)amino]phenyl]-[3-(methylamino)piperidin-1-yl]methanone;dihydrochloride
CID 119487943
[3-(methylaminomethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone;hydrochloride
CID 119542048
N-[4-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]acetamide;hydrochloride
CID 119538355
[2-(1-aminoethyl)piperidin-1-yl]-[6-[ethyl(propyl)amino]-3-pyridinyl]methanone
CID 119436014

Frequently Asked Questions

What is the IUPAC name of [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The IUPAC name of [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride (CID 119540285) is [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride.
What is the SMILES notation for [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The canonical SMILES for [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride is CCCN(CC)c1ccc(C(=O)N2CCC(CNC)C2)cn1.Cl.Cl.
What is the InChIKey of [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
The InChIKey is AQGNIUNAFLDRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O.2ClH/c1-4-9-20(5-2)16-7-6-15(12-19-16)17(22)21-10-8-14(13-21)11-18-3;;/h6-7,12,14,18H,4-5,8-11,13H2,1-3H3;2*1H.
What are the key properties of [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride?
[6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride has a molecular weight of 377.36 g/mol, XLogP of 2.84, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[ethyl(propyl)amino]-3-pyridinyl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;dihydrochloride is sourced from PubChem (CID 119540285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).