5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

C22H25N5O — CID 109237048

IUPAC5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cncc(Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C22H25N5O/c1-26(2)21-6-4-19(5-7-21)25-20-14-18(15-24-16-20)22(28)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14-16,25H,10,13H2,1-3H3
InChIKeyDFGHAOWAOQMGLV-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.60
Rot. Bonds7

About 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide

5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (PubChem CID 109237048) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
PubChem CID109237048
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cncc(Nc2ccc(N(C)C)cc2)c1
InChIInChI=1S/C22H25N5O/c1-26(2)21-6-4-19(5-7-21)25-20-14-18(15-24-16-20)22(28)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14-16,25H,10,13H2,1-3H3
InChIKeyDFGHAOWAOQMGLV-UHFFFAOYSA-N
XLogP3.60
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-5-(3-methylanilino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109236995
N-methyl-N-(2-pyridin-4-ylethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235639
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214711
5-(3-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237031
N-methyl-5-(propylamino)-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109223006
2-[4-(dimethylamino)anilino]-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331284
5-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237038
5-[(4-fluorophenyl)methylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109233675
5-[4-(dimethylamino)anilino]-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236480
5-N-methyl-3-N-propyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109101177
N-[4-(dimethylamino)phenyl]-5-[methyl(2-pyridin-4-ylethyl)amino]pyridine-3-carboxamide
CID 109237137
3-N-(2-methoxyethyl)-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109103424

Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide (CID 109237048) is 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is CN(CCc1ccncc1)C(=O)c1cncc(Nc2ccc(N(C)C)cc2)c1.
What is the InChIKey of 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
The InChIKey is DFGHAOWAOQMGLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26(2)21-6-4-19(5-7-21)25-20-14-18(15-24-16-20)22(28)27(3)13-10-17-8-11-23-12-9-17/h4-9,11-12,14-16,25H,10,13H2,1-3H3.
What are the key properties of 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide?
5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide has a molecular weight of 375.48 g/mol, XLogP of 3.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109237048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).