N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide

C22H21N3O3 — CID 113021203

IUPACN-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1)C1CCCO1
InChIInChI=1S/C22H21N3O3/c26-22(20-7-4-14-27-20)25-17-10-13-21(23-15-17)24-16-8-11-19(12-9-16)28-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,20H,4,7,14H2,(H,23,24)(H,25,26)
InChIKeyMEIYXAJNUNLPKO-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.74
Rot. Bonds6

About N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide

N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide (PubChem CID 113021203) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
PubChem CID113021203
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1)C1CCCO1
InChIInChI=1S/C22H21N3O3/c26-22(20-7-4-14-27-20)25-17-10-13-21(23-15-17)24-16-8-11-19(12-9-16)28-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,20H,4,7,14H2,(H,23,24)(H,25,26)
InChIKeyMEIYXAJNUNLPKO-UHFFFAOYSA-N
XLogP4.74
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113036541
N-[6-(4-cyanoanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113022851
N-[6-(2,6-difluoroanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113023110
N-(4-anilinophenyl)oxolane-2-carboxamide
CID 4690010
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
4-[3-(oxolane-2-carbonylamino)phenoxy]phthalic acid
CID 17361884
N-[6-(ethylamino)-3-pyridinyl]oxolane-2-carboxamide
CID 115268574
N-phenyloxolane-2-carboxamide
CID 3453643
5-[[(2S)-oxolane-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 104855894
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
(2S)-N-(6-methoxy-3-pyridinyl)oxolane-2-carboxamide
CID 34666491

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide (CID 113021203) is N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide is O=C(Nc1ccc(Nc2ccc(Oc3ccccc3)cc2)nc1)C1CCCO1.
What is the InChIKey of N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide?
The InChIKey is MEIYXAJNUNLPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(20-7-4-14-27-20)25-17-10-13-21(23-15-17)24-16-8-11-19(12-9-16)28-18-5-2-1-3-6-18/h1-3,5-6,8-13,15,20H,4,7,14H2,(H,23,24)(H,25,26).
What are the key properties of N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide?
N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113021203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).