5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

C22H33N5O — CID 109229882

IUPAC5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2cncc(C(=O)NCCCN(C)C)c2)c(C)c1
InChIInChI=1S/C22H33N5O/c1-6-27(7-2)20-9-10-21(17(3)13-20)25-19-14-18(15-23-16-19)22(28)24-11-8-12-26(4)5/h9-10,13-16,25H,6-8,11-12H2,1-5H3,(H,24,28)
InChIKeyOJCOWMUCZQWWLZ-UHFFFAOYSA-N
MW383.54 g/mol
LogP3.66
Rot. Bonds10

About 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide

5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (PubChem CID 109229882) has the molecular formula C22H33N5O and a molecular weight of 383.54 g/mol. Its IUPAC name is 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
PubChem CID109229882
Molecular FormulaC22H33N5O
Molecular Weight383.54 g/mol
Exact Mass383.27
IUPAC Name5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide
SMILESCCN(CC)c1ccc(Nc2cncc(C(=O)NCCCN(C)C)c2)c(C)c1
InChIInChI=1S/C22H33N5O/c1-6-27(7-2)20-9-10-21(17(3)13-20)25-19-14-18(15-23-16-19)22(28)24-11-8-12-26(4)5/h9-10,13-16,25H,6-8,11-12H2,1-5H3,(H,24,28)
InChIKeyOJCOWMUCZQWWLZ-UHFFFAOYSA-N
XLogP3.66
TPSA60.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.54
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(dimethylamino)propyl]-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109229797
N-cyclopropyl-5-[4-(diethylamino)-2-methylanilino]pyridine-3-carboxamide
CID 109223740
5-N-(4-chloro-2-methylphenyl)-3-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109104343
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
5-(2,4-difluoroanilino)-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109229244
5-[4-(diethylamino)anilino]-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109242700
N-butyl-5-[4-(diethylamino)-2-methylanilino]pyrazine-2-carboxamide
CID 109272523
5-[4-(diethylamino)anilino]-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109242816
N-[4-(diethylamino)-2-methylphenyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235764
5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109226245
5-[4-(diethylamino)anilino]-N-prop-2-enylpyridine-3-carboxamide
CID 109224099
5-[3-(dimethylamino)propylamino]-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109229900

Frequently Asked Questions

What is the IUPAC name of 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The IUPAC name of 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide (CID 109229882) is 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is CCN(CC)c1ccc(Nc2cncc(C(=O)NCCCN(C)C)c2)c(C)c1.
What is the InChIKey of 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
The InChIKey is OJCOWMUCZQWWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33N5O/c1-6-27(7-2)20-9-10-21(17(3)13-20)25-19-14-18(15-23-16-19)22(28)24-11-8-12-26(4)5/h9-10,13-16,25H,6-8,11-12H2,1-5H3,(H,24,28).
What are the key properties of 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide?
5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide has a molecular weight of 383.54 g/mol, XLogP of 3.66, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(diethylamino)-2-methylanilino]-N-[3-(dimethylamino)propyl]pyridine-3-carboxamide is sourced from PubChem (CID 109229882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).