5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide

C20H27N5O — CID 109179197

IUPAC5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(N3CCN(C)CC3)cc2)cn1
InChIInChI=1S/C20H27N5O/c1-3-10-21-20(26)19-9-6-17(15-22-19)23-16-4-7-18(8-5-16)25-13-11-24(2)12-14-25/h4-9,15,23H,3,10-14H2,1-2H3,(H,21,26)
InChIKeyRHILCHKGPMLYRD-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.72
Rot. Bonds6

About 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide

5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide (PubChem CID 109179197) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
PubChem CID109179197
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
SMILESCCCNC(=O)c1ccc(Nc2ccc(N3CCN(C)CC3)cc2)cn1
InChIInChI=1S/C20H27N5O/c1-3-10-21-20(26)19-9-6-17(15-22-19)23-16-4-7-18(8-5-16)25-13-11-24(2)12-14-25/h4-9,15,23H,3,10-14H2,1-2H3,(H,21,26)
InChIKeyRHILCHKGPMLYRD-UHFFFAOYSA-N
XLogP2.72
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
N-(furan-2-ylmethyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-2-carboxamide
CID 109187612
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-2-carboxamide
CID 109186486
5-(4-phenylpiperazin-1-yl)-N-propylpyridine-2-carboxamide
CID 109179090
N-[4-(4-methylpiperazin-1-yl)phenyl]-5-(pentylamino)pyridine-2-carboxamide
CID 109195891
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
N-(2-morpholin-4-ylethyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185754
N-butyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109296654
5-(4-cyanoanilino)-N-propylpyridine-2-carboxamide
CID 109179230
methyl 4-[[6-(propylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109179188
2-N-butyl-6-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,6-dicarboxamide
CID 109094346
N-[(4-methylphenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109188702

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide (CID 109179197) is 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide is CCCNC(=O)c1ccc(Nc2ccc(N3CCN(C)CC3)cc2)cn1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide?
The InChIKey is RHILCHKGPMLYRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-10-21-20(26)19-9-6-17(15-22-19)23-16-4-7-18(8-5-16)25-13-11-24(2)12-14-25/h4-9,15,23H,3,10-14H2,1-2H3,(H,21,26).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide?
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide is sourced from PubChem (CID 109179197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).