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

C22H25N5O — CID 109214711

IUPAC4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C22H25N5O/c1-26(2)20-6-4-18(5-7-20)25-19-10-14-24-21(16-19)22(28)27(3)15-11-17-8-12-23-13-9-17/h4-10,12-14,16H,11,15H2,1-3H3,(H,24,25)
InChIKeyYJIYFTGNKZANOL-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.60
Rot. Bonds7

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

4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (PubChem CID 109214711) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
PubChem CID109214711
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
SMILESCN(CCc1ccncc1)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ccn1
InChIInChI=1S/C22H25N5O/c1-26(2)20-6-4-18(5-7-20)25-19-10-14-24-21(16-19)22(28)27(3)15-11-17-8-12-23-13-9-17/h4-10,12-14,16H,11,15H2,1-3H3,(H,24,25)
InChIKeyYJIYFTGNKZANOL-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

5-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 109237048
4-(2,6-difluoroanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214723
2-[4-(dimethylamino)anilino]-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109331284
4-[4-(dimethylamino)anilino]-N,N-dipropylpyridine-2-carboxamide
CID 109218362
4-(2-methoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214693
4-(dipropylamino)-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214653
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 61051888
N-methyl-4-(2-methyl-6-propan-2-ylanilino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214677
4-[4-(dimethylamino)anilino]-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109213610
N-methyl-4-(1-phenylethylamino)-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109210768
4-N-butyl-2-N,4-N-dimethyl-2-N-(2-pyridin-4-ylethyl)pyridine-2,4-dicarboxamide
CID 109088262
4-[2-(2-fluorophenyl)ethylamino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 109214020

Frequently Asked Questions

What is the IUPAC name of 4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide (CID 109214711) is 4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is CN(CCc1ccncc1)C(=O)c1cc(Nc2ccc(N(C)C)cc2)ccn1.
What is the InChIKey of 4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
The InChIKey is YJIYFTGNKZANOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-26(2)20-6-4-18(5-7-20)25-19-10-14-24-21(16-19)22(28)27(3)15-11-17-8-12-23-13-9-17/h4-10,12-14,16H,11,15H2,1-3H3,(H,24,25).
What are the key properties of 4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide?
4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-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 4-[4-(dimethylamino)anilino]-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109214711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).