[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

C16H26N4O — CID 109230121

IUPAC[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCCCN(C)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H26N4O/c1-4-5-6-19(3)15-11-14(12-17-13-15)16(21)20-9-7-18(2)8-10-20/h11-13H,4-10H2,1-3H3
InChIKeyZGZBLIBNOSXJLW-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.71
Rot. Bonds5

About [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone

[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 109230121) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID109230121
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCCCCN(C)c1cncc(C(=O)N2CCN(C)CC2)c1
InChIInChI=1S/C16H26N4O/c1-4-5-6-19(3)15-11-14(12-17-13-15)16(21)20-9-7-18(2)8-10-20/h11-13H,4-10H2,1-3H3
InChIKeyZGZBLIBNOSXJLW-UHFFFAOYSA-N
XLogP1.71
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-[butyl(methyl)amino]-3-pyridinyl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 109238542
[5-(N-ethylanilino)-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109230145
5-[butyl(methyl)amino]-N,N-diethylpyridine-3-carboxamide
CID 109238765
(5-hydroxy-3-pyridinyl)-(4-methylpiperazin-1-yl)methanone
CID 63864754
ethyl 4-[5-[butyl(methyl)carbamoyl]pyridine-3-carbonyl]piperazine-1-carboxylate
CID 109106675
5-[butyl(methyl)amino]-N-cyclopropylpyridine-3-carboxamide
CID 109223633
5-[butyl(methyl)amino]-N-(2-morpholin-4-ylethyl)pyridine-3-carboxamide
CID 109229497
(4-methylpiperazin-1-yl)-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109230061
azepan-1-yl-[5-(diethylamino)-3-pyridinyl]methanone
CID 109238896
5-[butyl(methyl)amino]-N-(1,1-dioxothiolan-3-yl)-N-methylpyridine-3-carboxamide
CID 109237342
5-[butyl(methyl)amino]-N-phenylpyridine-3-carboxamide
CID 109240365
4-[2-[butyl(methyl)amino]pyrimidine-5-carbonyl]piperazine-1-carbaldehyde
CID 109254354

Frequently Asked Questions

What is the IUPAC name of [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 109230121) is [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CCCCN(C)c1cncc(C(=O)N2CCN(C)CC2)c1.
What is the InChIKey of [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is ZGZBLIBNOSXJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-4-5-6-19(3)15-11-14(12-17-13-15)16(21)20-9-7-18(2)8-10-20/h11-13H,4-10H2,1-3H3.
What are the key properties of [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 290.41 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[butyl(methyl)amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 109230121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).