N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide

C28H34N4O3 — CID 59840227

IUPACN-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide
SMILESCOc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4)nc3)CC2)c(OC)c1
InChIInChI=1S/C28H34N4O3/c1-34-24-11-13-26(27(20-24)35-2)32-18-16-31(17-19-32)15-7-6-14-29-28(33)23-10-12-25(30-21-23)22-8-4-3-5-9-22/h3-5,8-13,20-21H,6-7,14-19H2,1-2H3,(H,29,33)
InChIKeyNNUWYKVJJOLAON-UHFFFAOYSA-N
MW474.61 g/mol
LogP4.10
Rot. Bonds10

About N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide

N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide (PubChem CID 59840227) has the molecular formula C28H34N4O3 and a molecular weight of 474.61 g/mol. Its IUPAC name is N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide
PubChem CID59840227
Molecular FormulaC28H34N4O3
Molecular Weight474.61 g/mol
Exact Mass474.26
IUPAC NameN-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide
SMILESCOc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4)nc3)CC2)c(OC)c1
InChIInChI=1S/C28H34N4O3/c1-34-24-11-13-26(27(20-24)35-2)32-18-16-31(17-19-32)15-7-6-14-29-28(33)23-10-12-25(30-21-23)22-8-4-3-5-9-22/h3-5,8-13,20-21H,6-7,14-19H2,1-2H3,(H,29,33)
InChIKeyNNUWYKVJJOLAON-UHFFFAOYSA-N
XLogP4.10
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.61
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-4-(2-methylphenyl)benzamide
CID 45484368
6-chloro-N-[4-[4-(2-methoxyphenyl)-1,4-diazepan-1-yl]butyl]pyridine-3-carboxamide
CID 71658206
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 141363458
3,4-dichloro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 15050919
4-tert-butyl-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 10971923
N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]-4-phenylbenzamide
CID 41277718
N-(3-methoxypropyl)-6-phenylpyridine-3-carboxamide
CID 110683628
3,4-dimethoxy-N-[3-(4-phenylpiperazin-1-yl)propyl]benzamide
CID 42224538
4-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]benzamide
CID 51354851
2,4-dimethoxy-N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]benzamide
CID 42266860
1-[4-[3-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]ethanone
CID 154211827
N-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butylcarbamoyl]phenyl]naphthalene-2-carboxamide
CID 44532093

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide?
The IUPAC name of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide (CID 59840227) is N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide is COc1ccc(N2CCN(CCCCNC(=O)c3ccc(-c4ccccc4)nc3)CC2)c(OC)c1.
What is the InChIKey of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide?
The InChIKey is NNUWYKVJJOLAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N4O3/c1-34-24-11-13-26(27(20-24)35-2)32-18-16-31(17-19-32)15-7-6-14-29-28(33)23-10-12-25(30-21-23)22-8-4-3-5-9-22/h3-5,8-13,20-21H,6-7,14-19H2,1-2H3,(H,29,33).
What are the key properties of N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide?
N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide has a molecular weight of 474.61 g/mol, XLogP of 4.10, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(2,4-dimethoxyphenyl)piperazin-1-yl]butyl]-6-phenylpyridine-3-carboxamide is sourced from PubChem (CID 59840227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).