3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride

C17H27Cl2N5O2 — CID 119871176

IUPAC3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1.Cl.Cl
InChIInChI=1S/C17H25N5O2.2ClH/c1-12(18)10-16(23)20-14-4-5-15(19-11-14)21-6-8-22(9-7-21)17(24)13-2-3-13;;/h4-5,11-13H,2-3,6-10,18H2,1H3,(H,20,23);2*1H
InChIKeyPDPSFMRPTBAYFU-UHFFFAOYSA-N
MW404.34 g/mol
LogP1.66
Rot. Bonds5

About 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride

3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride (PubChem CID 119871176) has the molecular formula C17H27Cl2N5O2 and a molecular weight of 404.34 g/mol. Its IUPAC name is 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride.

Molecular Properties

Compound Name3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride
PubChem CID119871176
Molecular FormulaC17H27Cl2N5O2
Molecular Weight404.34 g/mol
Exact Mass403.15
IUPAC Name3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride
SMILESCC(N)CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1.Cl.Cl
InChIInChI=1S/C17H25N5O2.2ClH/c1-12(18)10-16(23)20-14-4-5-15(19-11-14)21-6-8-22(9-7-21)17(24)13-2-3-13;;/h4-5,11-13H,2-3,6-10,18H2,1H3,(H,20,23);2*1H
InChIKeyPDPSFMRPTBAYFU-UHFFFAOYSA-N
XLogP1.66
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide
CID 119871177
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42849978
3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
CID 120872707
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119871174
1-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-(2,5-dimethylphenyl)urea
CID 46053542
N-cyclohexyl-1-[5-(3-methylbutanoylamino)-2-pyridinyl]piperidine-4-carboxamide
CID 50842318
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)acetamide
CID 166183455
2-amino-N-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]acetamide
CID 39181827
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 46157166

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride?
The IUPAC name of 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride (CID 119871176) is 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride.
What is the SMILES notation for 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride?
The canonical SMILES for 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride is CC(N)CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1.Cl.Cl.
What is the InChIKey of 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride?
The InChIKey is PDPSFMRPTBAYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2.2ClH/c1-12(18)10-16(23)20-14-4-5-15(19-11-14)21-6-8-22(9-7-21)17(24)13-2-3-13;;/h4-5,11-13H,2-3,6-10,18H2,1H3,(H,20,23);2*1H.
What are the key properties of 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride?
3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride has a molecular weight of 404.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride is sourced from PubChem (CID 119871176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).