6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide

C21H24N4O — CID 133453663

IUPAC6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESC#CCCN1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cn2)CC1
InChIInChI=1S/C21H24N4O/c1-3-4-11-24-12-14-25(15-13-24)20-10-7-18(16-22-20)21(26)23-19-8-5-17(2)6-9-19/h1,5-10,16H,4,11-15H2,2H3,(H,23,26)
InChIKeyAYIGXDPUTDOPJR-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.79
Rot. Bonds5

About 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide

6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide (PubChem CID 133453663) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
PubChem CID133453663
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide
SMILESC#CCCN1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cn2)CC1
InChIInChI=1S/C21H24N4O/c1-3-4-11-24-12-14-25(15-13-24)20-10-7-18(16-22-20)21(26)23-19-8-5-17(2)6-9-19/h1,5-10,16H,4,11-15H2,2H3,(H,23,26)
InChIKeyAYIGXDPUTDOPJR-UHFFFAOYSA-N
XLogP2.79
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133486045
6-[4-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133342811
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539
N-(4-methylphenyl)-6-[4-(2-methylphenyl)piperidin-1-yl]pyridine-3-carboxamide
CID 44527531
6-[4-(1,1-dioxothiolan-3-yl)piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133383387
N-(4-methylphenyl)-6-[4-(thiophene-2-carbonyl)-1,4-diazepan-1-yl]pyridine-3-carboxamide
CID 133302669
3-methyl-N-[6-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 46157259
4-methyl-N-[6-[4-[(3-phenoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42857364
N-[6-[4-(4-methylbenzoyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 42849983
N-[6-[4-(furan-3-ylmethyl)-1,4-diazepan-1-yl]-3-pyridinyl]-4-methylbenzamide
CID 42857549

Frequently Asked Questions

What is the IUPAC name of 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide (CID 133453663) is 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide is C#CCCN1CCN(c2ccc(C(=O)Nc3ccc(C)cc3)cn2)CC1.
What is the InChIKey of 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is AYIGXDPUTDOPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-3-4-11-24-12-14-25(15-13-24)20-10-7-18(16-22-20)21(26)23-19-8-5-17(2)6-9-19/h1,5-10,16H,4,11-15H2,2H3,(H,23,26).
What are the key properties of 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide?
6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-but-3-ynylpiperazin-1-yl)-N-(4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 133453663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).