5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

C22H25N5O — CID 109190984

IUPAC5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCc3ccccn3)nc2)cc1
InChIInChI=1S/C22H25N5O/c1-3-27(4-2)20-11-8-17(9-12-20)26-19-10-13-21(24-16-19)22(28)25-15-18-7-5-6-14-23-18/h5-14,16,26H,3-4,15H2,1-2H3,(H,25,28)
InChIKeyPBIJRKOWSLGNHV-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.00
Rot. Bonds8

About 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide

5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (PubChem CID 109190984) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
PubChem CID109190984
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(Nc2ccc(C(=O)NCc3ccccn3)nc2)cc1
InChIInChI=1S/C22H25N5O/c1-3-27(4-2)20-11-8-17(9-12-20)26-19-10-13-21(24-16-19)22(28)25-15-18-7-5-6-14-23-18/h5-14,16,26H,3-4,15H2,1-2H3,(H,25,28)
InChIKeyPBIJRKOWSLGNHV-UHFFFAOYSA-N
XLogP4.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.00
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

5-(4-acetamidoanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190978
5-[4-(diethylamino)anilino]-N-[(2-methylphenyl)methyl]pyridine-2-carboxamide
CID 109188225
5-(3,4-dichloroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191005
N-butyl-5-[4-(diethylamino)anilino]pyridine-2-carboxamide
CID 109180770
5-(diethylamino)-N-(pyridin-2-ylmethyl)pyrazine-2-carboxamide
CID 109282951
5-(3,4-difluoroanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109191021
N-(pyridin-2-ylmethyl)-5-(2,4,6-trimethylanilino)pyridine-2-carboxamide
CID 109190941
N-(pyridin-2-ylmethyl)-5-(3,4,5-trimethoxyanilino)pyridine-2-carboxamide
CID 109191002
5-[4-(diethylamino)anilino]-N-(4-fluorophenyl)pyridine-2-carboxamide
CID 109198981
5-(2,4-dimethylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109190929
ethyl 2-[[6-(pyridin-2-ylmethylcarbamoyl)-3-pyridinyl]amino]benzoate
CID 109191014
4-[4-(dimethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212771

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide (CID 109190984) is 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is CCN(CC)c1ccc(Nc2ccc(C(=O)NCc3ccccn3)nc2)cc1.
What is the InChIKey of 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
The InChIKey is PBIJRKOWSLGNHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-3-27(4-2)20-11-8-17(9-12-20)26-19-10-13-21(24-16-19)22(28)25-15-18-7-5-6-14-23-18/h5-14,16,26H,3-4,15H2,1-2H3,(H,25,28).
What are the key properties of 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide?
5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 4.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)anilino]-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109190984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).