N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

C20H20N4O2 — CID 109171760

IUPACN-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-26-18-8-6-16(7-9-18)24-20(25)15-10-12-22-19(13-15)23-14-17-5-3-4-11-21-17/h3-13H,2,14H2,1H3,(H,22,23)(H,24,25)
InChIKeyFEQPUXPMFAKKOH-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.74
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide

N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (PubChem CID 109171760) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
PubChem CID109171760
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccnc(NCc3ccccn3)c2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-26-18-8-6-16(7-9-18)24-20(25)15-10-12-22-19(13-15)23-14-17-5-3-4-11-21-17/h3-13H,2,14H2,1H3,(H,22,23)(H,24,25)
InChIKeyFEQPUXPMFAKKOH-UHFFFAOYSA-N
XLogP3.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetamidophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171770
N-(4-tert-butylphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171748
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-5-carboxamide
CID 109258753
N-(3,4-dichlorophenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171792
2-[(4-chlorophenyl)methylamino]-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 109170970
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109306966
2-(aminomethyl)-N-(4-ethoxyphenyl)pyridine-4-carboxamide
CID 114325480
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide
CID 109171786
N-(4-ethoxyphenyl)-2-[2-(3-methoxyphenyl)ethylamino]pyridine-4-carboxamide
CID 109172946
N-(4-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109349642
N-(4-phenylmethoxyphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165135
N-(4-cyanophenyl)-2-(4-ethoxyanilino)pyridine-4-carboxamide
CID 109178212

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide (CID 109171760) is N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is CCOc1ccc(NC(=O)c2ccnc(NCc3ccccn3)c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
The InChIKey is FEQPUXPMFAKKOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-26-18-8-6-16(7-9-18)24-20(25)15-10-12-22-19(13-15)23-14-17-5-3-4-11-21-17/h3-13H,2,14H2,1H3,(H,22,23)(H,24,25).
What are the key properties of N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide?
N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(pyridin-2-ylmethylamino)pyridine-4-carboxamide is sourced from PubChem (CID 109171760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).