2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide

C20H28N4O — CID 109165702

IUPAC2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NCC(C)C)ccn2)cc1
InChIInChI=1S/C20H28N4O/c1-5-24(6-2)18-9-7-17(8-10-18)23-19-13-16(11-12-21-19)20(25)22-14-15(3)4/h7-13,15H,5-6,14H2,1-4H3,(H,21,23)(H,22,25)
InChIKeyCCBIZJGFEKSEHU-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.06
Rot. Bonds8

About 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide

2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide (PubChem CID 109165702) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide
PubChem CID109165702
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide
SMILESCCN(CC)c1ccc(Nc2cc(C(=O)NCC(C)C)ccn2)cc1
InChIInChI=1S/C20H28N4O/c1-5-24(6-2)18-9-7-17(8-10-18)23-19-13-16(11-12-21-19)20(25)22-14-15(3)4/h7-13,15H,5-6,14H2,1-4H3,(H,21,23)(H,22,25)
InChIKeyCCBIZJGFEKSEHU-UHFFFAOYSA-N
XLogP4.06
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.06
H-Bond Donors ≤ 52
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-anilino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 109176141
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109175218
N-(2-cyanophenyl)-2-[4-(diethylamino)anilino]pyridine-4-carboxamide
CID 109178717
2-N-[4-(diethylamino)-2-methylphenyl]-4-N-(2-methylpropyl)pyridine-2,4-dicarboxamide
CID 109079739
N-[4-(diethylamino)phenyl]-2-(2-methylanilino)pyridine-4-carboxamide
CID 109176212
2-(butylamino)-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165522
2-amino-N-[4-(diethylamino)phenyl]pyridine-4-carboxamide
CID 63180905
6-[4-(diethylamino)anilino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109354368
N-butyl-2-[4-(dimethylamino)anilino]-N-methylpyridine-4-carboxamide
CID 109175537
2-[4-(dimethylamino)anilino]-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109178298
4-N-[4-(diethylamino)phenyl]-2-N,2-N-dipropylpyridine-2,4-dicarboxamide
CID 109090596
methyl 4-[[4-(butan-2-ylcarbamoyl)-2-pyridinyl]amino]benzoate
CID 109165860

Frequently Asked Questions

What is the IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide (CID 109165702) is 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide is CCN(CC)c1ccc(Nc2cc(C(=O)NCC(C)C)ccn2)cc1.
What is the InChIKey of 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide?
The InChIKey is CCBIZJGFEKSEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-5-24(6-2)18-9-7-17(8-10-18)23-19-13-16(11-12-21-19)20(25)22-14-15(3)4/h7-13,15H,5-6,14H2,1-4H3,(H,21,23)(H,22,25).
What are the key properties of 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide?
2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.06, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(diethylamino)anilino]-N-(2-methylpropyl)pyridine-4-carboxamide is sourced from PubChem (CID 109165702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).