2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide

C22H29N5O2 — CID 109088980

IUPAC2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccn1
InChIInChI=1S/C22H29N5O2/c1-4-26(5-2)22(29)20-16-17(10-11-23-20)21(28)24-18-6-8-19(9-7-18)27-14-12-25(3)13-15-27/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,28)
InChIKeyVVMZFGJFDAGMPE-UHFFFAOYSA-N
MW395.51 g/mol
LogP2.57
Rot. Bonds6

About 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide

2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109088980) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109088980
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccn1
InChIInChI=1S/C22H29N5O2/c1-4-26(5-2)22(29)20-16-17(10-11-23-20)21(28)24-18-6-8-19(9-7-18)27-14-12-25(3)13-15-27/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,28)
InChIKeyVVMZFGJFDAGMPE-UHFFFAOYSA-N
XLogP2.57
TPSA68.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 52.57
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

4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088853
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711
4-N-(4-ethoxyphenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088955
2-(butan-2-ylamino)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109165951
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090596
N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756617
4-N-(3-acetamidophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109088967
2-[3-(dimethylamino)propylamino]-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-4-carboxamide
CID 109168430
4-N-(4-methoxyphenyl)-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090576
4-N-(2,6-difluorophenyl)-2-N,2-N-diethylpyridine-2,4-dicarboxamide
CID 109089015
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 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide (CID 109088980) is 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide is CCN(CC)C(=O)c1cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)ccn1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is VVMZFGJFDAGMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-4-26(5-2)22(29)20-16-17(10-11-23-20)21(28)24-18-6-8-19(9-7-18)27-14-12-25(3)13-15-27/h6-11,16H,4-5,12-15H2,1-3H3,(H,24,28).
What are the key properties of 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide?
2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 395.51 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).