N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C21H22N4O3 — CID 59373975

IUPACN-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O3/c1-25(14-15-27-2)21(26)18-6-5-13-23-20(18)28-17-10-8-16(9-11-17)24-19-7-3-4-12-22-19/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyJWZGLMHATKCUBP-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.73
Rot. Bonds8

About N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59373975) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59373975
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCOCCN(C)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C21H22N4O3/c1-25(14-15-27-2)21(26)18-6-5-13-23-20(18)28-17-10-8-16(9-11-17)24-19-7-3-4-12-22-19/h3-13H,14-15H2,1-2H3,(H,22,24)
InChIKeyJWZGLMHATKCUBP-UHFFFAOYSA-N
XLogP3.73
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59373975) is N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is COCCN(C)C(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is JWZGLMHATKCUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-25(14-15-27-2)21(26)18-6-5-13-23-20(18)28-17-10-8-16(9-11-17)24-19-7-3-4-12-22-19/h3-13H,14-15H2,1-2H3,(H,22,24).
What are the key properties of N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.73, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59373975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).