2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide

C13H21N5O — CID 62900431

IUPAC2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C13H21N5O/c1-2-11(13(15)19)17-5-7-18(8-6-17)12-3-4-16-9-10(12)14/h3-4,9,11H,2,5-8,14H2,1H3,(H2,15,19)
InChIKeyUUGOHSRZWMIFGE-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.05
Rot. Bonds4

About 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide

2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide (PubChem CID 62900431) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide.

Molecular Properties

Compound Name2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide
PubChem CID62900431
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide
SMILESCCC(C(N)=O)N1CCN(c2ccncc2N)CC1
InChIInChI=1S/C13H21N5O/c1-2-11(13(15)19)17-5-7-18(8-6-17)12-3-4-16-9-10(12)14/h3-4,9,11H,2,5-8,14H2,1H3,(H2,15,19)
InChIKeyUUGOHSRZWMIFGE-UHFFFAOYSA-N
XLogP0.05
TPSA88.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide?
The IUPAC name of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide (CID 62900431) is 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide.
What is the SMILES notation for 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide?
The canonical SMILES for 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide is CCC(C(N)=O)N1CCN(c2ccncc2N)CC1.
What is the InChIKey of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide?
The InChIKey is UUGOHSRZWMIFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-11(13(15)19)17-5-7-18(8-6-17)12-3-4-16-9-10(12)14/h3-4,9,11H,2,5-8,14H2,1H3,(H2,15,19).
What are the key properties of 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide?
2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide has a molecular weight of 263.34 g/mol, XLogP of 0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-amino-4-pyridinyl)piperazin-1-yl]butanamide is sourced from PubChem (CID 62900431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).