2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide

C27H33N5O2 — CID 1019302

IUPAC2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N(CC)CC)cc3)n2)cc1
InChIInChI=1S/C27H33N5O2/c1-5-31(6-2)22-16-12-20(13-17-22)28-26(33)24-10-9-11-25(30-24)27(34)29-21-14-18-23(19-15-21)32(7-3)8-4/h9-19H,5-8H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyWMDQVUBOQHVTBA-UHFFFAOYSA-N
MW459.59 g/mol
LogP5.28
Rot. Bonds10

About 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide

2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide (PubChem CID 1019302) has the molecular formula C27H33N5O2 and a molecular weight of 459.59 g/mol. Its IUPAC name is 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
PubChem CID1019302
Molecular FormulaC27H33N5O2
Molecular Weight459.59 g/mol
Exact Mass459.26
IUPAC Name2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N(CC)CC)cc3)n2)cc1
InChIInChI=1S/C27H33N5O2/c1-5-31(6-2)22-16-12-20(13-17-22)28-26(33)24-10-9-11-25(30-24)27(34)29-21-14-18-23(19-15-21)32(7-3)8-4/h9-19H,5-8H2,1-4H3,(H,28,33)(H,29,34)
InChIKeyWMDQVUBOQHVTBA-UHFFFAOYSA-N
XLogP5.28
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.59
LogP ≤ 55.28
H-Bond Donors ≤ 52
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

2-N-[4-(diethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099835
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
2-N-[4-(dimethylamino)phenyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099834
N-[4-(diethylamino)phenyl]-2-(2,6-dimethylanilino)pyrimidine-4-carboxamide
CID 109315291
6-N,6-N-diethyl-2-N-(4-propan-2-ylphenyl)pyridine-2,6-dicarboxamide
CID 109098987
5-(diethylamino)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109194751
N-(3-chlorophenyl)-5-(diethylamino)pyridine-2-carboxamide
CID 109194760
6-N-ethyl-2-N-(4-ethylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100571
6-N-(4-ethylphenyl)-2-N-(4-methylphenyl)pyridine-2,6-dicarboxamide
CID 109100178
N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
CID 113200658
2-N-[2-(dimethylamino)ethyl]-6-N-[4-(dimethylamino)phenyl]pyridine-2,6-dicarboxamide
CID 109096394
6-bromo-N-[4-(dimethylamino)phenyl]pyridine-2-carboxamide
CID 113343282

Frequently Asked Questions

What is the IUPAC name of 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide (CID 1019302) is 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide is CCN(CC)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(N(CC)CC)cc3)n2)cc1.
What is the InChIKey of 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide?
The InChIKey is WMDQVUBOQHVTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N5O2/c1-5-31(6-2)22-16-12-20(13-17-22)28-26(33)24-10-9-11-25(30-24)27(34)29-21-14-18-23(19-15-21)32(7-3)8-4/h9-19H,5-8H2,1-4H3,(H,28,33)(H,29,34).
What are the key properties of 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide?
2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide has a molecular weight of 459.59 g/mol, XLogP of 5.28, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,6-N-bis[4-(diethylamino)phenyl]pyridine-2,6-dicarboxamide is sourced from PubChem (CID 1019302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).