3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride

C19H32Cl3N5O — CID 119901475

IUPAC3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride
SMILESCN1CCN(c2cc(CNC(=O)C3C4CCC(C4)C3N)ccn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C19H29N5O.3ClH/c1-23-6-8-24(9-7-23)16-10-13(4-5-21-16)12-22-19(25)17-14-2-3-15(11-14)18(17)20;;;/h4-5,10,14-15,17-18H,2-3,6-9,11-12,20H2,1H3,(H,22,25);3*1H
InChIKeyRNSNLGGJQBHZEA-UHFFFAOYSA-N
MW452.86 g/mol
LogP2.09
Rot. Bonds4

About 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride

3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride (PubChem CID 119901475) has the molecular formula C19H32Cl3N5O and a molecular weight of 452.86 g/mol. Its IUPAC name is 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride
PubChem CID119901475
Molecular FormulaC19H32Cl3N5O
Molecular Weight452.86 g/mol
Exact Mass451.17
IUPAC Name3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride
SMILESCN1CCN(c2cc(CNC(=O)C3C4CCC(C4)C3N)ccn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C19H29N5O.3ClH/c1-23-6-8-24(9-7-23)16-10-13(4-5-21-16)12-22-19(25)17-14-2-3-15(11-14)18(17)20;;;/h4-5,10,14-15,17-18H,2-3,6-9,11-12,20H2,1H3,(H,22,25);3*1H
InChIKeyRNSNLGGJQBHZEA-UHFFFAOYSA-N
XLogP2.09
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.86
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride 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-amino-N-[(2-pyrrolidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841536
3-amino-N-[(2-piperidin-1-yl-4-pyridinyl)methyl]bicyclo[2.2.1]heptane-2-carboxamide;dihydrochloride
CID 119841355
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798
(2S)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-5-oxopyrrolidine-2-carboxamide
CID 94889865
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
CID 119901457
3-amino-N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119846500
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
1-(3,5-dichlorobenzoyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyrrolidine-2-carboxamide
CID 55912514
1-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-3-[[(2S)-oxolan-2-yl]methyl]urea
CID 94026803

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride?
The IUPAC name of 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride (CID 119901475) is 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride?
The canonical SMILES for 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride is CN1CCN(c2cc(CNC(=O)C3C4CCC(C4)C3N)ccn2)CC1.Cl.Cl.Cl.
What is the InChIKey of 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride?
The InChIKey is RNSNLGGJQBHZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O.3ClH/c1-23-6-8-24(9-7-23)16-10-13(4-5-21-16)12-22-19(25)17-14-2-3-15(11-14)18(17)20;;;/h4-5,10,14-15,17-18H,2-3,6-9,11-12,20H2,1H3,(H,22,25);3*1H.
What are the key properties of 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride?
3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride has a molecular weight of 452.86 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride is sourced from PubChem (CID 119901475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).