4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide

C20H28N4O — CID 109217021

IUPAC4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NC(C)(C)C)ccn2)cc1
InChIInChI=1S/C20H28N4O/c1-6-24(7-2)17-10-8-15(9-11-17)22-19(25)18-14-16(12-13-21-18)23-20(3,4)5/h8-14H,6-7H2,1-5H3,(H,21,23)(H,22,25)
InChIKeyGNCXXYBQHPYVTN-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.39
Rot. Bonds6

About 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide

4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide (PubChem CID 109217021) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
PubChem CID109217021
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(NC(C)(C)C)ccn2)cc1
InChIInChI=1S/C20H28N4O/c1-6-24(7-2)17-10-8-15(9-11-17)22-19(25)18-14-16(12-13-21-18)23-20(3,4)5/h8-14H,6-7H2,1-5H3,(H,21,23)(H,22,25)
InChIKeyGNCXXYBQHPYVTN-UHFFFAOYSA-N
XLogP4.39
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.39
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

4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
4-[4-(diethylamino)anilino]-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109219248
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyrazine-2-carboxamide
CID 109287415
N-[4-(diethylamino)phenyl]-4-(N-methylanilino)pyridine-2-carboxamide
CID 109219474
2-N-[4-(diethylamino)phenyl]-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090511
4-(tert-butylamino)-N-(2,6-dimethylphenyl)pyridine-2-carboxamide
CID 109216969
5-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-3-carboxamide
CID 109239451
N-[4-(dimethylamino)phenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203188
4-(tert-butylamino)-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109202921
4-(tert-butylamino)-N-[2-(dimethylamino)ethyl]pyridine-2-carboxamide
CID 109207144
N-[4-(diethylamino)-2-methylphenyl]-4-(2-methylpropylamino)pyridine-2-carboxamide
CID 109203222

Frequently Asked Questions

What is the IUPAC name of 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide (CID 109217021) is 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(NC(C)(C)C)ccn2)cc1.
What is the InChIKey of 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
The InChIKey is GNCXXYBQHPYVTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-6-24(7-2)17-10-8-15(9-11-17)22-19(25)18-14-16(12-13-21-18)23-20(3,4)5/h8-14H,6-7H2,1-5H3,(H,21,23)(H,22,25).
What are the key properties of 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide?
4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(tert-butylamino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 109217021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).