N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide

C21H30N6O — CID 109167751

IUPACN-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H30N6O/c1-25(2)11-10-23-21(28)17-8-9-22-20(16-17)24-18-4-6-19(7-5-18)27-14-12-26(3)13-15-27/h4-9,16H,10-15H2,1-3H3,(H,22,24)(H,23,28)
InChIKeyLWRBMEJTFFSDMC-UHFFFAOYSA-N
MW382.51 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide

N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide (PubChem CID 109167751) has the molecular formula C21H30N6O and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
PubChem CID109167751
Molecular FormulaC21H30N6O
Molecular Weight382.51 g/mol
Exact Mass382.25
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
SMILESCN(C)CCNC(=O)c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)c1
InChIInChI=1S/C21H30N6O/c1-25(2)11-10-23-21(28)17-8-9-22-20(16-17)24-18-4-6-19(7-5-18)27-14-12-26(3)13-15-27/h4-9,16H,10-15H2,1-3H3,(H,22,24)(H,23,28)
InChIKeyLWRBMEJTFFSDMC-UHFFFAOYSA-N
XLogP1.87
TPSA63.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide
CID 109165227
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109168430
2-(3,4-dichloroanilino)-N-[2-(dimethylamino)ethyl]pyridine-4-carboxamide
CID 109167766
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
N-[3-(dimethylamino)propyl]-5-[4-(4-methylpiperazin-1-yl)anilino]pyridine-3-carboxamide
CID 109229856
N-[2-(dimethylamino)ethyl]-6-(4-pyrrolidin-1-ylanilino)pyrimidine-4-carboxamide
CID 109344367
N-(2-phenylethyl)-2-(4-pyrrolidin-1-ylanilino)pyridine-4-carboxamide
CID 109172228
2-(4-acetamidoanilino)-N-[3-(dimethylamino)propyl]pyridine-4-carboxamide
CID 109168260
N-(3-methoxypropyl)-2-[4-(4-methylpiperidin-1-yl)anilino]pyridine-4-carboxamide
CID 109167109
N-[2-(dimethylamino)ethyl]-5-(4-piperidin-1-ylanilino)pyridine-3-carboxamide
CID 109229226
[2-[4-(4-methylpiperazin-1-yl)anilino]-4-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109175747
N-(2-hydroxyethyl)-2-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 117093223

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide (CID 109167751) is N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide is CN(C)CCNC(=O)c1ccnc(Nc2ccc(N3CCN(C)CC3)cc2)c1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
The InChIKey is LWRBMEJTFFSDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N6O/c1-25(2)11-10-23-21(28)17-8-9-22-20(16-17)24-18-4-6-19(7-5-18)27-14-12-26(3)13-15-27/h4-9,16H,10-15H2,1-3H3,(H,22,24)(H,23,28).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[4-(4-methylpiperazin-1-yl)anilino]pyridine-4-carboxamide is sourced from PubChem (CID 109167751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).