4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide

C21H26N4O2 — CID 109088853

IUPAC4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N4O2/c1-3-24(4-2)21(27)16-11-12-22-19(15-16)20(26)23-17-7-9-18(10-8-17)25-13-5-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyAKLLQWQGVGWFED-UHFFFAOYSA-N
MW366.47 g/mol
LogP3.42
Rot. Bonds6

About 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide

4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide (PubChem CID 109088853) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
PubChem CID109088853
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
SMILESCCN(CC)C(=O)c1ccnc(C(=O)Nc2ccc(N3CCCC3)cc2)c1
InChIInChI=1S/C21H26N4O2/c1-3-24(4-2)21(27)16-11-12-22-19(15-16)20(26)23-17-7-9-18(10-8-17)25-13-5-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26)
InChIKeyAKLLQWQGVGWFED-UHFFFAOYSA-N
XLogP3.42
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-diethyl-4-N-[4-(4-methylpiperazin-1-yl)phenyl]pyridine-2,4-dicarboxamide
CID 109088980
4-N-[2-(dimethylamino)ethyl]-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109083518
N-(4-piperidin-1-ylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080459
2-N-(3,4-dimethylphenyl)-4-N,4-N-diethylpyridine-2,4-dicarboxamide
CID 109088798
4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109220342
4-(dipropylamino)-N-(4-piperidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218448
4-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109208359
4-N,4-N-diethyl-2-N-(4-phenoxyphenyl)pyridine-2,4-dicarboxamide
CID 109088859
N-(4-acetamidophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203936
N-(4-ethylphenyl)-4-piperidin-1-ylpyridine-2-carboxamide
CID 109204642
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090511
2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079711

Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide (CID 109088853) is 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide is CCN(CC)C(=O)c1ccnc(C(=O)Nc2ccc(N3CCCC3)cc2)c1.
What is the InChIKey of 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide?
The InChIKey is AKLLQWQGVGWFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-3-24(4-2)21(27)16-11-12-22-19(15-16)20(26)23-17-7-9-18(10-8-17)25-13-5-6-14-25/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,26).
What are the key properties of 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide?
4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide has a molecular weight of 366.47 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).