N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

C21H30N4O — CID 109229981

IUPACN-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H30N4O/c1-21(2,3)17-7-9-18(10-8-17)24-20(26)16-13-19(15-22-14-16)23-11-6-12-25(4)5/h7-10,13-15,23H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyJLXONRACEGAHEX-UHFFFAOYSA-N
MW354.50 g/mol
LogP3.99
Rot. Bonds7

About N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide

N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (PubChem CID 109229981) has the molecular formula C21H30N4O and a molecular weight of 354.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
PubChem CID109229981
Molecular FormulaC21H30N4O
Molecular Weight354.50 g/mol
Exact Mass354.24
IUPAC NameN-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
SMILESCN(C)CCCNc1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1
InChIInChI=1S/C21H30N4O/c1-21(2,3)17-7-9-18(10-8-17)24-20(26)16-13-19(15-22-14-16)23-11-6-12-25(4)5/h7-10,13-15,23H,6,11-12H2,1-5H3,(H,24,26)
InChIKeyJLXONRACEGAHEX-UHFFFAOYSA-N
XLogP3.99
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.50
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-4-methylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229990
N-(3-chloro-4-fluorophenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229991
N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253568
N-(4-tert-butylphenyl)-5-(3-methylbutylamino)pyridine-3-carboxamide
CID 109239930
5-[3-(dimethylamino)propylamino]-N-(2-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230003
5-N-(4-acetamidophenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104366
5-(4-tert-butylanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109244078
5-[3-(dimethylamino)propylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109229913
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
N-(4-tert-butylphenyl)-5-(2-morpholin-4-ylethylamino)pyridine-3-carboxamide
CID 109229662
N-cycloheptyl-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide
CID 109229945
5-(4-tert-butylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242026

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide (CID 109229981) is N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is CN(C)CCCNc1cncc(C(=O)Nc2ccc(C(C)(C)C)cc2)c1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
The InChIKey is JLXONRACEGAHEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O/c1-21(2,3)17-7-9-18(10-8-17)24-20(26)16-13-19(15-22-14-16)23-11-6-12-25(4)5/h7-10,13-15,23H,6,11-12H2,1-5H3,(H,24,26).
What are the key properties of N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide has a molecular weight of 354.50 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-[3-(dimethylamino)propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 109229981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).