N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide

C22H21N3O2 — CID 11268375

IUPACN-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(Nc3ccccc3)c2)ccn1)C1CCOC1
InChIInChI=1S/C22H21N3O2/c26-22(18-10-12-27-15-18)25-21-14-17(9-11-23-21)16-5-4-8-20(13-16)24-19-6-2-1-3-7-19/h1-9,11,13-14,18,24H,10,12,15H2,(H,23,25,26)
InChIKeyVJEOTHSAASZFKG-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.47
Rot. Bonds5

About N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide

N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide (PubChem CID 11268375) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide
PubChem CID11268375
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC NameN-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide
SMILESO=C(Nc1cc(-c2cccc(Nc3ccccc3)c2)ccn1)C1CCOC1
InChIInChI=1S/C22H21N3O2/c26-22(18-10-12-27-15-18)25-21-14-17(9-11-23-21)16-5-4-8-20(13-16)24-19-6-2-1-3-7-19/h1-9,11,13-14,18,24H,10,12,15H2,(H,23,25,26)
InChIKeyVJEOTHSAASZFKG-UHFFFAOYSA-N
XLogP4.47
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-methylpyridin-2-yl)-2,2-diphenylacetamide
CID 939927
N-(3-methyl-2-pyridinyl)-2,2-diphenylacetamide
CID 4450213
N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydro-2H-pyran-4-carboxamide
CID 44408641
N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydrofuran-3-carboxamide
CID 10247954
3-methoxy-N-(4-(2-(phenylamino)pyridin-4-yl)pyridin-2-yl)propanamide
CID 10472936
N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide
CID 11373403
N-[4-(3-acetamido-5-anilinophenyl)-2-pyridinyl]oxane-4-carboxamide
CID 11774751
N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydro-2H-pyran-4-carboxamide
CID 44408670
(+)-N-(4-(2-(4-fluorophenylamino)pyridin-4-yl)pyridin-2-yl)-tetrahydrofuran-3-carboxamide
CID 44408944
[4-(2,2-Diphenylethyl)-2-pyridinyl]urea
CID 69675880
2,2-diphenyl-N-(pyridin-2-yl)acetamide
CID 246299
N-[3-[3-(cyclopropanecarbonylamino)isoquinolin-7-yl]-4-methylphenyl]oxane-4-carboxamide
CID 71115015

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide (CID 11268375) is N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide is O=C(Nc1cc(-c2cccc(Nc3ccccc3)c2)ccn1)C1CCOC1.
What is the InChIKey of N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide?
The InChIKey is VJEOTHSAASZFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c26-22(18-10-12-27-15-18)25-21-14-17(9-11-23-21)16-5-4-8-20(13-16)24-19-6-2-1-3-7-19/h1-9,11,13-14,18,24H,10,12,15H2,(H,23,25,26).
What are the key properties of N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide?
N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-anilinophenyl)-2-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 11268375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).