N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide

C19H26N4O — CID 109229797

IUPACN-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Nc2cncc(C(=O)NCCCN(C)C)c2)c1
InChIInChI=1S/C19H26N4O/c1-14-6-7-15(2)18(10-14)22-17-11-16(12-20-13-17)19(24)21-8-5-9-23(3)4/h6-7,10-13,22H,5,8-9H2,1-4H3,(H,21,24)
InChIKeyAMCNNAYQCLYEOR-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.12
Rot. Bonds7

About N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide

N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide (PubChem CID 109229797) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
PubChem CID109229797
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
SMILESCc1ccc(C)c(Nc2cncc(C(=O)NCCCN(C)C)c2)c1
InChIInChI=1S/C19H26N4O/c1-14-6-7-15(2)18(10-14)22-17-11-16(12-20-13-17)19(24)21-8-5-9-23(3)4/h6-7,10-13,22H,5,8-9H2,1-4H3,(H,21,24)
InChIKeyAMCNNAYQCLYEOR-UHFFFAOYSA-N
XLogP3.12
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.12
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

5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
CID 109229882
5-(2,5-dimethylanilino)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 109242013
N-[4-(dimethylamino)phenyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242872
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
N-[2-(3-chlorophenyl)ethyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109241132
5-(2,5-dimethylanilino)-N-(3-methylphenyl)pyridine-3-carboxamide
CID 109241831
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-(2-methoxy-5-methylanilino)-N-propylpyridine-3-carboxamide
CID 109222894
5-(2,5-dimethylanilino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109242839
N-[3-(dimethylamino)propyl]-5-(4-pyrrolidin-1-ylanilino)pyridine-3-carboxamide
CID 109229852
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
CID 167310023

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide (CID 109229797) is N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide is Cc1ccc(C)c(Nc2cncc(C(=O)NCCCN(C)C)c2)c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
The InChIKey is AMCNNAYQCLYEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-14-6-7-15(2)18(10-14)22-17-11-16(12-20-13-17)19(24)21-8-5-9-23(3)4/h6-7,10-13,22H,5,8-9H2,1-4H3,(H,21,24).
What are the key properties of N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide?
N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 3.12, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109229797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).