N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide

C21H29N5O — CID 109238842

IUPACN,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H29N5O/c1-4-25(5-2)21(27)17-14-19(16-22-15-17)23-18-6-8-20(9-7-18)26-12-10-24(3)11-13-26/h6-9,14-16,23H,4-5,10-13H2,1-3H3
InChIKeyWYYRXACVCMWOHE-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.06
Rot. Bonds6

About N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide

N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide (PubChem CID 109238842) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
PubChem CID109238842
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
SMILESCCN(CC)C(=O)c1cncc(Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H29N5O/c1-4-25(5-2)21(27)17-14-19(16-22-15-17)23-18-6-8-20(9-7-18)26-12-10-24(3)11-13-26/h6-9,14-16,23H,4-5,10-13H2,1-3H3
InChIKeyWYYRXACVCMWOHE-UHFFFAOYSA-N
XLogP3.06
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.06
H-Bond Donors ≤ 51
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
(4-methylpiperazin-1-yl)-[5-[4-(4-methylpiperazin-1-yl)anilino]-3-pyridinyl]methanone
CID 109230198
N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109229856
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859
N,N-diethyl-6-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidine-4-carboxamide
CID 109332408
N,N-diethyl-5-(4-phenoxyanilino)pyridine-3-carboxamide
CID 109238844
5-(4-methylanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240921
N,N-diethyl-5-[4-(4-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109106568
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
5-(4-chloroanilino)-N,N-dipropylpyridine-3-carboxamide
CID 109240944
N,N-diethyl-5-(4-phenylpiperazine-1-carbonyl)pyridine-3-carboxamide
CID 109106558
N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109262419

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The IUPAC name of N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide (CID 109238842) is N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide.
What is the SMILES notation for N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The canonical SMILES for N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide is CCN(CC)C(=O)c1cncc(Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
The InChIKey is WYYRXACVCMWOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-4-25(5-2)21(27)17-14-19(16-22-15-17)23-18-6-8-20(9-7-18)26-12-10-24(3)11-13-26/h6-9,14-16,23H,4-5,10-13H2,1-3H3.
What are the key properties of N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide?
N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide is sourced from PubChem (CID 109238842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).