N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

C20H20N4O2 — CID 109191396

IUPACN-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCc3cccnc3)cn2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-26-18-8-5-16(6-9-18)24-20(25)19-10-7-17(14-23-19)22-13-15-4-3-11-21-12-15/h3-12,14,22H,2,13H2,1H3,(H,24,25)
InChIKeyHKQZGZSQKNKQPF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.74
Rot. Bonds7

About N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide

N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (PubChem CID 109191396) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
PubChem CID109191396
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccc(NCc3cccnc3)cn2)cc1
InChIInChI=1S/C20H20N4O2/c1-2-26-18-8-5-16(6-9-18)24-20(25)19-10-7-17(14-23-19)22-13-15-4-3-11-21-12-15/h3-12,14,22H,2,13H2,1H3,(H,24,25)
InChIKeyHKQZGZSQKNKQPF-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-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420
N'-(4-ethoxyphenyl)-N-(pyridin-3-ylmethyl)propanediamide
CID 108947690
N-(2-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191392
N-(2-methoxyethyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109183851
N-(4-ethoxyphenyl)-5-(methylamino)pyridine-2-carboxamide
CID 104639683
5-(ethylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 104639627
N-pentyl-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191345
N-(4-ethoxyphenyl)-2-(pyridin-3-ylmethylamino)-5,6-dihydro-4H-cyclopenta[b]thiophene-3-carboxamide
CID 4689868
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
CID 112983018
N-(4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-2-carboxamide
CID 109191679
4-ethoxy-N-(pyridin-3-ylmethyl)benzamide
CID 673607
N-(2,4-dimethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191360

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide (CID 109191396) is N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is CCOc1ccc(NC(=O)c2ccc(NCc3cccnc3)cn2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is HKQZGZSQKNKQPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-2-26-18-8-5-16(6-9-18)24-20(25)19-10-7-17(14-23-19)22-13-15-4-3-11-21-12-15/h3-12,14,22H,2,13H2,1H3,(H,24,25).
What are the key properties of N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide?
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-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)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 109191396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).