[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

C21H28N4O2 — CID 109202741

IUPAC[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCNc1ccnc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-3-4-10-22-17-9-11-23-20(16-17)21(26)25-14-12-24(13-15-25)18-5-7-19(27-2)8-6-18/h5-9,11,16H,3-4,10,12-15H2,1-2H3,(H,22,23)
InChIKeyVCRAUBMXHBMPIF-UHFFFAOYSA-N
MW368.48 g/mol
LogP3.26
Rot. Bonds7

About [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone

[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 109202741) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID109202741
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCCCCNc1ccnc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1
InChIInChI=1S/C21H28N4O2/c1-3-4-10-22-17-9-11-23-20(16-17)21(26)25-14-12-24(13-15-25)18-5-7-19(27-2)8-6-18/h5-9,11,16H,3-4,10,12-15H2,1-2H3,(H,22,23)
InChIKeyVCRAUBMXHBMPIF-UHFFFAOYSA-N
XLogP3.26
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[4-(3-methylphenyl)piperazin-1-yl]-[4-(pentylamino)-2-pyridinyl]methanone
CID 109216019
[4-[2-(4-methoxyphenyl)ethylamino]-2-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 109208083
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109203696
[4-(4-methoxyphenyl)piperazin-1-yl]-[2-(propylamino)-4-pyridinyl]methanone
CID 109165116
4-[4-[2-(4-methoxyphenoxy)ethylamino]pyridine-2-carbonyl]piperazine-1-carbaldehyde
CID 109208752
[4-(2-phenylethylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109213641
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-(2-methylpropylamino)pyrimidin-4-yl]methanone
CID 109340279
[4-(4-methoxyphenyl)piperazin-1-yl]-[6-methyl-2-(propylamino)pyrimidin-4-yl]methanone
CID 109318950
[4-(2-methylpropylamino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109203088
N-butan-2-yl-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109080205
azepan-1-yl-[4-[2-(3-methoxyphenyl)ethylamino]-2-pyridinyl]methanone
CID 109214460
[4-[3-(dimethylamino)propylamino]-2-pyridinyl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 109207935

Frequently Asked Questions

What is the IUPAC name of [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 109202741) is [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is CCCCNc1ccnc(C(=O)N2CCN(c3ccc(OC)cc3)CC2)c1.
What is the InChIKey of [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is VCRAUBMXHBMPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-4-10-22-17-9-11-23-20(16-17)21(26)25-14-12-24(13-15-25)18-5-7-19(27-2)8-6-18/h5-9,11,16H,3-4,10,12-15H2,1-2H3,(H,22,23).
What are the key properties of [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone?
[4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 368.48 g/mol, XLogP of 3.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(butylamino)-2-pyridinyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 109202741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).