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

C14H23N5O — CID 120872707

IUPAC3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C14H23N5O/c1-11(15)9-14(20)17-12-3-4-13(16-10-12)19-7-5-18(2)6-8-19/h3-4,10-11H,5-9,15H2,1-2H3,(H,17,20)
InChIKeyVLGBJHALYGRKNL-UHFFFAOYSA-N
MW277.37 g/mol
LogP0.51
Rot. Bonds4

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

3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide (PubChem CID 120872707) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
PubChem CID120872707
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide
SMILESCC(N)CC(=O)Nc1ccc(N2CCN(C)CC2)nc1
InChIInChI=1S/C14H23N5O/c1-11(15)9-14(20)17-12-3-4-13(16-10-12)19-7-5-18(2)6-8-19/h3-4,10-11H,5-9,15H2,1-2H3,(H,17,20)
InChIKeyVLGBJHALYGRKNL-UHFFFAOYSA-N
XLogP0.51
TPSA74.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-(6-pyrrolidin-1-yl-3-pyridinyl)butanamide
CID 60836509
3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide
CID 119871177
3-amino-N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]butanamide;dihydrochloride
CID 119871176
2-(1-hydroxycyclohexyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 111536468
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
2-(4-chlorophenyl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]acetamide
CID 17444414
N-[6-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-pyridinyl]-3-methylbutanamide
CID 42849978
3-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propanamide
CID 37334790
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylbutanamide
CID 51327852
(2R)-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-phenylsulfanylpropanamide
CID 25396381

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide?
The IUPAC name of 3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide (CID 120872707) is 3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide?
The canonical SMILES for 3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide is CC(N)CC(=O)Nc1ccc(N2CCN(C)CC2)nc1.
What is the InChIKey of 3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide?
The InChIKey is VLGBJHALYGRKNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-11(15)9-14(20)17-12-3-4-13(16-10-12)19-7-5-18(2)6-8-19/h3-4,10-11H,5-9,15H2,1-2H3,(H,17,20).
What are the key properties of 3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide?
3-amino-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]butanamide has a molecular weight of 277.37 g/mol, XLogP of 0.51, 4 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-methylpiperazin-1-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 120872707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).