3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride

C19H31Cl2N5O2 — CID 173125101

IUPAC3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride
SMILESCl.Cl.O=C(C=Cc1cnc(N[C@@H]2CCCN(C3CCCCCC3)C2)cn1)NO
InChIInChI=1S/C19H29N5O2.2ClH/c25-19(23-26)10-9-15-12-21-18(13-20-15)22-16-6-5-11-24(14-16)17-7-3-1-2-4-8-17;;/h9-10,12-13,16-17,26H,1-8,11,14H2,(H,21,22)(H,23,25);2*1H/t16-;;/m1../s1
InChIKeyQYHIRYNJOVCLGD-GGMCWBHBSA-N
MW432.40 g/mol
LogP3.44
Rot. Bonds5

About 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride

3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride (PubChem CID 173125101) has the molecular formula C19H31Cl2N5O2 and a molecular weight of 432.40 g/mol. Its IUPAC name is 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride.

Molecular Properties

Compound Name3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride
PubChem CID173125101
Molecular FormulaC19H31Cl2N5O2
Molecular Weight432.40 g/mol
Exact Mass431.19
IUPAC Name3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride
SMILESCl.Cl.O=C(C=Cc1cnc(N[C@@H]2CCCN(C3CCCCCC3)C2)cn1)NO
InChIInChI=1S/C19H29N5O2.2ClH/c25-19(23-26)10-9-15-12-21-18(13-20-15)22-16-6-5-11-24(14-16)17-7-3-1-2-4-8-17;;/h9-10,12-13,16-17,26H,1-8,11,14H2,(H,21,22)(H,23,25);2*1H/t16-;;/m1../s1
InChIKeyQYHIRYNJOVCLGD-GGMCWBHBSA-N
XLogP3.44
TPSA90.38 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride?
The IUPAC name of 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride (CID 173125101) is 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride.
What is the SMILES notation for 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride?
The canonical SMILES for 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride is Cl.Cl.O=C(C=Cc1cnc(N[C@@H]2CCCN(C3CCCCCC3)C2)cn1)NO.
What is the InChIKey of 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride?
The InChIKey is QYHIRYNJOVCLGD-GGMCWBHBSA-N. The full InChI is InChI=1S/C19H29N5O2.2ClH/c25-19(23-26)10-9-15-12-21-18(13-20-15)22-16-6-5-11-24(14-16)17-7-3-1-2-4-8-17;;/h9-10,12-13,16-17,26H,1-8,11,14H2,(H,21,22)(H,23,25);2*1H/t16-;;/m1../s1.
What are the key properties of 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride?
3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride has a molecular weight of 432.40 g/mol, XLogP of 3.44, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[[(3R)-1-cycloheptylpiperidin-3-yl]amino]pyrazin-2-yl]-N-hydroxyprop-2-enamide;dihydrochloride is sourced from PubChem (CID 173125101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).