1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride

C15H26Cl3N5O — CID 119901457

IUPAC1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
SMILESCN1CCN(c2cc(CNC(=O)C3(N)CC3)ccn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H23N5O.3ClH/c1-19-6-8-20(9-7-19)13-10-12(2-5-17-13)11-18-14(21)15(16)3-4-15;;;/h2,5,10H,3-4,6-9,11,16H2,1H3,(H,18,21);3*1H
InChIKeyGVLGIHAWBNYRSO-UHFFFAOYSA-N
MW398.77 g/mol
LogP1.21
Rot. Bonds4

About 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride

1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride (PubChem CID 119901457) has the molecular formula C15H26Cl3N5O and a molecular weight of 398.77 g/mol. Its IUPAC name is 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride.

Molecular Properties

Compound Name1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
PubChem CID119901457
Molecular FormulaC15H26Cl3N5O
Molecular Weight398.77 g/mol
Exact Mass397.12
IUPAC Name1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride
SMILESCN1CCN(c2cc(CNC(=O)C3(N)CC3)ccn2)CC1.Cl.Cl.Cl
InChIInChI=1S/C15H23N5O.3ClH/c1-19-6-8-20(9-7-19)13-10-12(2-5-17-13)11-18-14(21)15(16)3-4-15;;;/h2,5,10H,3-4,6-9,11,16H2,1H3,(H,18,21);3*1H
InChIKeyGVLGIHAWBNYRSO-UHFFFAOYSA-N
XLogP1.21
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.77
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride with MolForge

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Related Compounds

1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 119901458
4-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]piperazine-1-carboxamide
CID 155944201
1-amino-N-[(2-morpholin-4-yl-4-pyridinyl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119846317
(2R)-2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]propanamide
CID 119901488
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-phenylpropanamide
CID 120597553
2-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 119947480
3-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide;trihydrochloride
CID 119901475
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-2-pyrazol-1-ylacetamide
CID 53499617
3-chloro-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]pyridine-2-carboxamide
CID 122134483
4-(diethylaminomethyl)-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]benzamide
CID 47065929
methyl 2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]acetate
CID 67382772
N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-1-(pyrrolidine-1-carbonyl)piperidine-4-carboxamide
CID 55742798

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride?
The IUPAC name of 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride (CID 119901457) is 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride.
What is the SMILES notation for 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride?
The canonical SMILES for 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride is CN1CCN(c2cc(CNC(=O)C3(N)CC3)ccn2)CC1.Cl.Cl.Cl.
What is the InChIKey of 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride?
The InChIKey is GVLGIHAWBNYRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O.3ClH/c1-19-6-8-20(9-7-19)13-10-12(2-5-17-13)11-18-14(21)15(16)3-4-15;;;/h2,5,10H,3-4,6-9,11,16H2,1H3,(H,18,21);3*1H.
What are the key properties of 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride?
1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride has a molecular weight of 398.77 g/mol, XLogP of 1.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide;trihydrochloride is sourced from PubChem (CID 119901457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).