N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C22H24N4O3 — CID 46834093

IUPACN-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCCC(COC)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-3-16(15-28-2)26-21(27)19-7-6-14-24-22(19)29-18-11-9-17(10-12-18)25-20-8-4-5-13-23-20/h4-14,16H,3,15H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyUOESUKBSGSBKBL-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.17
Rot. Bonds9

About N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 46834093) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID46834093
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCCC(COC)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-3-16(15-28-2)26-21(27)19-7-6-14-24-22(19)29-18-11-9-17(10-12-18)25-20-8-4-5-13-23-20/h4-14,16H,3,15H2,1-2H3,(H,23,25)(H,26,27)
InChIKeyUOESUKBSGSBKBL-UHFFFAOYSA-N
XLogP4.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 46834093) is N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CCC(COC)NC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is UOESUKBSGSBKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-16(15-28-2)26-21(27)19-7-6-14-24-22(19)29-18-11-9-17(10-12-18)25-20-8-4-5-13-23-20/h4-14,16H,3,15H2,1-2H3,(H,23,25)(H,26,27).
What are the key properties of N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxybutan-2-yl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 46834093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).