N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

C22H24N4O3 — CID 59374077

IUPACN-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC(C)OCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-16(2)28-15-14-24-21(27)19-6-5-13-25-22(19)29-18-10-8-17(9-11-18)26-20-7-3-4-12-23-20/h3-13,16H,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySKISNUFQWHZYLD-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.17
Rot. Bonds9

About N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide

N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (PubChem CID 59374077) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
PubChem CID59374077
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide
SMILESCC(C)OCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1
InChIInChI=1S/C22H24N4O3/c1-16(2)28-15-14-24-21(27)19-6-5-13-25-22(19)29-18-10-8-17(9-11-18)26-20-7-3-4-12-23-20/h3-13,16H,14-15H2,1-2H3,(H,23,26)(H,24,27)
InChIKeySKISNUFQWHZYLD-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The IUPAC name of N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide (CID 59374077) is N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is CC(C)OCCNC(=O)c1cccnc1Oc1ccc(Nc2ccccn2)cc1.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
The InChIKey is SKISNUFQWHZYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-16(2)28-15-14-24-21(27)19-6-5-13-25-22(19)29-18-10-8-17(9-11-18)26-20-7-3-4-12-23-20/h3-13,16H,14-15H2,1-2H3,(H,23,26)(H,24,27).
What are the key properties of N-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide?
N-(2-propan-2-yloxyethyl)-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-(2-propan-2-yloxyethyl)-2-[4-(pyridin-2-ylamino)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 59374077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).