4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide

C22H26N4O2 — CID 172887275

IUPAC4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide
SMILESC=CC(=O)N1CCN(c2ccc(NC(=O)CCCc3ccccc3)cn2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-22(28)26-15-13-25(14-16-26)20-12-11-19(17-23-20)24-21(27)10-6-9-18-7-4-3-5-8-18/h2-5,7-8,11-12,17H,1,6,9-10,13-16H2,(H,24,27)
InChIKeyDYNWBWKLHNJJFE-UHFFFAOYSA-N
MW378.48 g/mol
LogP2.88
Rot. Bonds7

About 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide

4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide (PubChem CID 172887275) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide
PubChem CID172887275
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide
SMILESC=CC(=O)N1CCN(c2ccc(NC(=O)CCCc3ccccc3)cn2)CC1
InChIInChI=1S/C22H26N4O2/c1-2-22(28)26-15-13-25(14-16-26)20-12-11-19(17-23-20)24-21(27)10-6-9-18-7-4-3-5-8-18/h2-5,7-8,11-12,17H,1,6,9-10,13-16H2,(H,24,27)
InChIKeyDYNWBWKLHNJJFE-UHFFFAOYSA-N
XLogP2.88
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-phenyl-N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]propanamide
CID 11488539
N-[6-[4-(furan-2-carbonyl)piperazin-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46157200
N-(6-fluoro-3-pyridinyl)-4-phenylbutanamide
CID 103789587
N-(6-piperidin-1-yl-3-pyridinyl)pentanamide
CID 18144003
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
N-[4-oxo-4-[(6-pyrrolidin-1-yl-3-pyridinyl)amino]butyl]furan-2-carboxamide
CID 30267377
2-phenyl-N-[6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]-3-pyridinyl]acetamide
CID 155597278
N-[6-(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl)-3-pyridinyl]-3-phenylpropanamide
CID 75950222
N-[6-(4-benzylpiperazin-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 113013734
N-[6-[4-(4-chlorobenzoyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenylacetamide
CID 46053238
6-amino-N-(6-piperidin-1-yl-3-pyridinyl)hexanamide
CID 43704579
N-[6-[4-(furan-2-carbonyl)-1,4-diazepan-1-yl]-3-pyridinyl]-2-phenoxyacetamide
CID 42857103

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide?
The IUPAC name of 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide (CID 172887275) is 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide.
What is the SMILES notation for 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide?
The canonical SMILES for 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide is C=CC(=O)N1CCN(c2ccc(NC(=O)CCCc3ccccc3)cn2)CC1.
What is the InChIKey of 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide?
The InChIKey is DYNWBWKLHNJJFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-2-22(28)26-15-13-25(14-16-26)20-12-11-19(17-23-20)24-21(27)10-6-9-18-7-4-3-5-8-18/h2-5,7-8,11-12,17H,1,6,9-10,13-16H2,(H,24,27).
What are the key properties of 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide?
4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide has a molecular weight of 378.48 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[6-(4-prop-2-enoylpiperazin-1-yl)-3-pyridinyl]butanamide is sourced from PubChem (CID 172887275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).