N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

C26H20N6O2 — CID 57394104

IUPACN-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(-c5cccnc5)cc4)ncc3c2)ccn1
InChIInChI=1S/C26H20N6O2/c1-27-25(33)24-14-22(10-12-29-24)34-21-8-9-23-19(13-21)16-30-26(32-23)31-20-6-4-17(5-7-20)18-3-2-11-28-15-18/h2-16H,1H3,(H,27,33)(H,30,31,32)
InChIKeyGKKSHWWDZSJINW-UHFFFAOYSA-N
MW448.49 g/mol
LogP4.98
Rot. Bonds6

About N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide

N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (PubChem CID 57394104) has the molecular formula C26H20N6O2 and a molecular weight of 448.49 g/mol. Its IUPAC name is N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
PubChem CID57394104
Molecular FormulaC26H20N6O2
Molecular Weight448.49 g/mol
Exact Mass448.16
IUPAC NameN-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(-c5cccnc5)cc4)ncc3c2)ccn1
InChIInChI=1S/C26H20N6O2/c1-27-25(33)24-14-22(10-12-29-24)34-21-8-9-23-19(13-21)16-30-26(32-23)31-20-6-4-17(5-7-20)18-3-2-11-28-15-18/h2-16H,1H3,(H,27,33)(H,30,31,32)
InChIKeyGKKSHWWDZSJINW-UHFFFAOYSA-N
XLogP4.98
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.49
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide (CID 57394104) is N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(-c5cccnc5)cc4)ncc3c2)ccn1.
What is the InChIKey of N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
The InChIKey is GKKSHWWDZSJINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O2/c1-27-25(33)24-14-22(10-12-29-24)34-21-8-9-23-19(13-21)16-30-26(32-23)31-20-6-4-17(5-7-20)18-3-2-11-28-15-18/h2-16H,1H3,(H,27,33)(H,30,31,32).
What are the key properties of N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide?
N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide has a molecular weight of 448.49 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-(4-pyridin-3-ylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 57394104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).