5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide

C20H27N5O — CID 109222918

IUPAC5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H27N5O/c1-3-8-22-20(26)16-13-18(15-21-14-16)23-17-4-6-19(7-5-17)25-11-9-24(2)10-12-25/h4-7,13-15,23H,3,8-12H2,1-2H3,(H,22,26)
InChIKeyOZCZKVNJJQMLPF-UHFFFAOYSA-N
MW353.47 g/mol
LogP2.72
Rot. Bonds6

About 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide

5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide (PubChem CID 109222918) 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-3-carboxamide.

Molecular Properties

Compound Name5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
PubChem CID109222918
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1cncc(Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C20H27N5O/c1-3-8-22-20(26)16-13-18(15-21-14-16)23-17-4-6-19(7-5-17)25-11-9-24(2)10-12-25/h4-7,13-15,23H,3,8-12H2,1-2H3,(H,22,26)
InChIKeyOZCZKVNJJQMLPF-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

N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859
N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109229856
N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109238842
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-2-carboxamide
CID 109179197
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852
5-(4-tert-butylanilino)-N-propylpyridine-3-carboxamide
CID 109222873
5-(4-methylpiperazin-1-yl)-N-pentylpyridine-3-carboxamide
CID 109230294
5-N-[4-(4-methylpiperazin-1-yl)phenyl]-3-N-prop-2-enylpyridine-3,5-dicarboxamide
CID 109101872
N-[(2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109233382
N-butan-2-yl-5-[4-(4-methylpiperidin-1-yl)anilino]pyridine-3-carboxamide
CID 109225266

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide (CID 109222918) is 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1cncc(Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide?
The InChIKey is OZCZKVNJJQMLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-8-22-20(26)16-13-18(15-21-14-16)23-17-4-6-19(7-5-17)25-11-9-24(2)10-12-25/h4-7,13-15,23H,3,8-12H2,1-2H3,(H,22,26).
What are the key properties of 5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide?
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-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-3-carboxamide is sourced from PubChem (CID 109222918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).