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

C17H25N5O2 — CID 119871177

IUPAC3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C17H25N5O2/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)
InChIKeyTXGRAIQCNDMXIG-UHFFFAOYSA-N
MW331.42 g/mol
LogP0.82
Rot. Bonds5

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

3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide (PubChem CID 119871177) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide
PubChem CID119871177
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1
InChIInChI=1S/C17H25N5O2/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)
InChIKeyTXGRAIQCNDMXIG-UHFFFAOYSA-N
XLogP0.82
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 50.82
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;dihydrochloride
CID 119871176
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
ethyl 4-[5-(3-methylbutanoylamino)-2-pyridinyl]piperazine-1-carboxylate
CID 113014216
4-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)pentanamide;dihydrochloride
CID 120564420
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?
The IUPAC name of 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide (CID 119871177) is 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide.
What is the SMILES notation for 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide?
The canonical SMILES for 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide is CC(N)CC(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1.
What is the InChIKey of 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide?
The InChIKey is TXGRAIQCNDMXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N5O2/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).
What are the key properties of 3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide?
3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide has a molecular weight of 331.42 g/mol, XLogP of 0.82, 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 is sourced from PubChem (CID 119871177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).