5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride

C19H27ClN4 — CID 120843448

IUPAC5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
SMILESCC(N)C1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C1.Cl
InChIInChI=1S/C19H26N4.ClH/c1-15(20)17-10-11-23(14-17)13-16-8-9-19(21-12-16)22(2)18-6-4-3-5-7-18;/h3-9,12,15,17H,10-11,13-14,20H2,1-2H3;1H
InChIKeyGKEOJDNANORKHD-UHFFFAOYSA-N
MW346.91 g/mol
LogP3.44
Rot. Bonds5

About 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride

5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride (PubChem CID 120843448) has the molecular formula C19H27ClN4 and a molecular weight of 346.91 g/mol. Its IUPAC name is 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
PubChem CID120843448
Molecular FormulaC19H27ClN4
Molecular Weight346.91 g/mol
Exact Mass346.19
IUPAC Name5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
SMILESCC(N)C1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C1.Cl
InChIInChI=1S/C19H26N4.ClH/c1-15(20)17-10-11-23(14-17)13-16-8-9-19(21-12-16)22(2)18-6-4-3-5-7-18;/h3-9,12,15,17H,10-11,13-14,20H2,1-2H3;1H
InChIKeyGKEOJDNANORKHD-UHFFFAOYSA-N
XLogP3.44
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.91
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride 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

5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843449
5-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride
CID 120837862
5-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 120841116
5-[[3-(aminomethyl)piperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120836846
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
N-methyl-5-[[4-(methylaminomethyl)piperidin-1-yl]methyl]-N-phenylpyridin-2-amine
CID 120839030
5-[[4-(1-aminoethyl)piperidin-1-yl]methyl]-N-(2-methoxyethyl)-N-methylpyridin-2-amine
CID 120838198
1-[1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630112
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-[1-(naphthalen-2-ylmethyl)pyrrolidin-3-yl]ethanamine
CID 112630094
5-[[2-(aminomethyl)-4-methoxypiperidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine
CID 120843809

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride?
The IUPAC name of 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride (CID 120843448) is 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride?
The canonical SMILES for 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride is CC(N)C1CCN(Cc2ccc(N(C)c3ccccc3)nc2)C1.Cl.
What is the InChIKey of 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride?
The InChIKey is GKEOJDNANORKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4.ClH/c1-15(20)17-10-11-23(14-17)13-16-8-9-19(21-12-16)22(2)18-6-4-3-5-7-18;/h3-9,12,15,17H,10-11,13-14,20H2,1-2H3;1H.
What are the key properties of 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride?
5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride has a molecular weight of 346.91 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]-N-methyl-N-phenylpyridin-2-amine;hydrochloride is sourced from PubChem (CID 120843448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).