N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

C21H29N5O — CID 109229226

IUPACN-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H29N5O/c1-25(2)13-10-23-21(27)17-14-19(16-22-15-17)24-18-6-8-20(9-7-18)26-11-4-3-5-12-26/h6-9,14-16,24H,3-5,10-13H2,1-2H3,(H,23,27)
InChIKeyIWWJGZNMWAHETN-UHFFFAOYSA-N
MW367.50 g/mol
LogP3.11
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide

N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (PubChem CID 109229226) has the molecular formula C21H29N5O and a molecular weight of 367.50 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
PubChem CID109229226
Molecular FormulaC21H29N5O
Molecular Weight367.50 g/mol
Exact Mass367.24
IUPAC NameN-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
SMILESCN(C)CCNC(=O)c1cncc(Nc2ccc(N3CCCCC3)cc2)c1
InChIInChI=1S/C21H29N5O/c1-25(2)13-10-23-21(27)17-14-19(16-22-15-17)24-18-6-8-20(9-7-18)26-11-4-3-5-12-26/h6-9,14-16,24H,3-5,10-13H2,1-2H3,(H,23,27)
InChIKeyIWWJGZNMWAHETN-UHFFFAOYSA-N
XLogP3.11
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.50
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852
3-N-[2-(dimethylamino)ethyl]-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109104148
N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109229856
N-[2-(dimethylamino)ethyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109185416
1-N-[2-(dimethylamino)ethyl]-3-N-(4-piperidin-1-ylphenyl)benzene-1,3-dicarboxamide
CID 109053246
5-[4-(4-methylpiperazin-1-yl)anilino]-N-propylpyridine-3-carboxamide
CID 109222918
N-[(2-fluorophenyl)methyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109233382
N-(oxolan-2-ylmethyl)-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109228869
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
N-(3-methylbutyl)-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109239859
3-N-(2-methoxyethyl)-5-N-(4-piperidin-1-ylphenyl)pyridine-3,5-dicarboxamide
CID 109103527
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide (CID 109229226) is N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide is CN(C)CCNC(=O)c1cncc(Nc2ccc(N3CCCCC3)cc2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
The InChIKey is IWWJGZNMWAHETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O/c1-25(2)13-10-23-21(27)17-14-19(16-22-15-17)24-18-6-8-20(9-7-18)26-11-4-3-5-12-26/h6-9,14-16,24H,3-5,10-13H2,1-2H3,(H,23,27).
What are the key properties of N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide?
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide has a molecular weight of 367.50 g/mol, XLogP of 3.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109229226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).