2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide

C22H24N4O2 — CID 117085868

IUPAC2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCN(C)c1cccc(Nc2cc(C(=O)NCCc3ccc(O)cc3)ccn2)c1
InChIInChI=1S/C22H24N4O2/c1-26(2)19-5-3-4-18(15-19)25-21-14-17(11-13-23-21)22(28)24-12-10-16-6-8-20(27)9-7-16/h3-9,11,13-15,27H,10,12H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyYBIOMWPCGSBYLE-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.57
Rot. Bonds7

About 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide

2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 117085868) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID117085868
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCN(C)c1cccc(Nc2cc(C(=O)NCCc3ccc(O)cc3)ccn2)c1
InChIInChI=1S/C22H24N4O2/c1-26(2)19-5-3-4-18(15-19)25-21-14-17(11-13-23-21)22(28)24-12-10-16-6-8-20(27)9-7-16/h3-9,11,13-15,27H,10,12H2,1-2H3,(H,23,25)(H,24,28)
InChIKeyYBIOMWPCGSBYLE-UHFFFAOYSA-N
XLogP3.57
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(dimethylamino)anilino]-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-4-carboxamide
CID 117092673
N-(2-phenylethyl)-2-[3-(trifluoromethyl)anilino]pyridine-4-carboxamide
CID 109172217
N-[2-(4-hydroxyphenyl)ethyl]-2-[(2-methylpyrazol-3-yl)amino]pyridine-4-carboxamide
CID 117085212
2-[4-(dimethylamino)anilino]-N-[2-(2-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 109172767
2-[4-(dimethylamino)anilino]-N-(3-methylbutyl)pyridine-4-carboxamide
CID 109175218
2-(3-fluoroanilino)-N-(3-phenylpropyl)pyridine-4-carboxamide
CID 109174835
3-(dimethylamino)-N-[2-(4-ethoxyphenyl)ethyl]benzamide
CID 110795352
2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
N-[2-[4-(dimethylamino)phenyl]ethyl]quinoxaline-6-carboxamide
CID 146083370
2-(1,3-benzodioxol-5-ylamino)-N-[2-(4-chlorophenyl)ethyl]pyridine-4-carboxamide
CID 109173834
2-(3-bromoanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166839
methyl 2-[3-(dimethylamino)anilino]pyridine-4-carboxylate;2,2,2-trifluoroacetic acid
CID 146121213

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide (CID 117085868) is 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide is CN(C)c1cccc(Nc2cc(C(=O)NCCc3ccc(O)cc3)ccn2)c1.
What is the InChIKey of 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is YBIOMWPCGSBYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-26(2)19-5-3-4-18(15-19)25-21-14-17(11-13-23-21)22(28)24-12-10-16-6-8-20(27)9-7-16/h3-9,11,13-15,27H,10,12H2,1-2H3,(H,23,25)(H,24,28).
What are the key properties of 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide?
2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)anilino]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 117085868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).