[5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

C19H26N6O — CID 109194515

IUPAC[5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCCCN(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C19H26N6O/c1-3-4-10-23(2)16-6-7-17(22-15-16)18(26)24-11-13-25(14-12-24)19-20-8-5-9-21-19/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyFDQKKNUNLVFJEZ-UHFFFAOYSA-N
MW354.46 g/mol
LogP2.07
Rot. Bonds6

About [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

[5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (PubChem CID 109194515) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
PubChem CID109194515
Molecular FormulaC19H26N6O
Molecular Weight354.46 g/mol
Exact Mass354.22
IUPAC Name[5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
SMILESCCCCN(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)nc1
InChIInChI=1S/C19H26N6O/c1-3-4-10-23(2)16-6-7-17(22-15-16)18(26)24-11-13-25(14-12-24)19-20-8-5-9-21-19/h5-9,15H,3-4,10-14H2,1-2H3
InChIKeyFDQKKNUNLVFJEZ-UHFFFAOYSA-N
XLogP2.07
TPSA65.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)-3-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4155185
[2-(dipropylamino)pyrimidin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109310660
[5-[butyl(methyl)amino]pyrazin-2-yl]-[4-(4-fluorophenyl)piperazin-1-yl]methanone
CID 109285588
N,N-diethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109098942
(1-methylpyrazol-3-yl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 4770499
[5-(azepan-1-yl)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194519
2-ethyl-6-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyridazin-3-one
CID 121066958
N-butyl-N-methyl-1-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclopropane-1-carboxamide
CID 108978982
[5-(3-methylanilino)-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109194522
[5-[(4-methylphenyl)methylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109188753
1-[4-[5-(diethylamino)pyridine-2-carbonyl]piperazin-1-yl]ethanone
CID 109187248
5-[butyl(methyl)amino]-N-pentylpyridine-2-carboxamide
CID 109195719

Frequently Asked Questions

What is the IUPAC name of [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone (CID 109194515) is [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is CCCCN(C)c1ccc(C(=O)N2CCN(c3ncccn3)CC2)nc1.
What is the InChIKey of [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FDQKKNUNLVFJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O/c1-3-4-10-23(2)16-6-7-17(22-15-16)18(26)24-11-13-25(14-12-24)19-20-8-5-9-21-19/h5-9,15H,3-4,10-14H2,1-2H3.
What are the key properties of [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone?
[5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone has a molecular weight of 354.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[butyl(methyl)amino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109194515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).