2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide

C22H29N5O2 — CID 109094346

IUPAC2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C22H29N5O2/c1-3-4-12-23-21(28)19-6-5-7-20(25-19)22(29)24-17-8-10-18(11-9-17)27-15-13-26(2)14-16-27/h5-11H,3-4,12-16H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyIUWYWASFQVXJRF-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.62
Rot. Bonds7

About 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide

2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide (PubChem CID 109094346) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
PubChem CID109094346
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
SMILESCCCCNC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1
InChIInChI=1S/C22H29N5O2/c1-3-4-12-23-21(28)19-6-5-7-20(25-19)22(29)24-17-8-10-18(11-9-17)27-15-13-26(2)14-16-27/h5-11H,3-4,12-16H2,1-2H3,(H,23,28)(H,24,29)
InChIKeyIUWYWASFQVXJRF-UHFFFAOYSA-N
XLogP2.62
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-N-butyl-6-N-(4-chlorophenyl)pyridine-2,6-dicarboxamide
CID 109094306
N-butyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109296654
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094899
6-(butylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridazine-3-carboxamide
CID 109110732
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
1-N-butyl-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109051202
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354483
6-N-(3-bromophenyl)-2-N-butylpyridine-2,6-dicarboxamide
CID 109094351
1-N'-[4-(4-methylpiperazin-1-yl)phenyl]-1-N-pentylcyclopropane-1,1-dicarboxamide
CID 108979823

Frequently Asked Questions

What is the IUPAC name of 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide (CID 109094346) is 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide is CCCCNC(=O)c1cccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)n1.
What is the InChIKey of 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is IUWYWASFQVXJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-3-4-12-23-21(28)19-6-5-7-20(25-19)22(29)24-17-8-10-18(11-9-17)27-15-13-26(2)14-16-27/h5-11H,3-4,12-16H2,1-2H3,(H,23,28)(H,24,29).
What are the key properties of 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide?
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109094346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).