N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide

C22H21N3O3 — CID 113036541

IUPACN-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2Oc2ccccc2)cn1)C1CCCO1
InChIInChI=1S/C22H21N3O3/c26-22(20-11-6-14-27-20)25-21-13-12-16(15-23-21)24-18-9-4-5-10-19(18)28-17-7-2-1-3-8-17/h1-5,7-10,12-13,15,20,24H,6,11,14H2,(H,23,25,26)
InChIKeyYOICEZBYLBWUDH-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.74
Rot. Bonds6

About N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide

N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide (PubChem CID 113036541) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
PubChem CID113036541
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide
SMILESO=C(Nc1ccc(Nc2ccccc2Oc2ccccc2)cn1)C1CCCO1
InChIInChI=1S/C22H21N3O3/c26-22(20-11-6-14-27-20)25-21-13-12-16(15-23-21)24-18-9-4-5-10-19(18)28-17-7-2-1-3-8-17/h1-5,7-10,12-13,15,20,24H,6,11,14H2,(H,23,25,26)
InChIKeyYOICEZBYLBWUDH-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-phenoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113021203
N-[5-(2,3-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113032322
N-[5-(2,4-dimethylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113031947
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
N-[5-(cycloheptylamino)-2-pyridinyl]oxolane-2-carboxamide
CID 113030095
N-[5-(4-pyrrolidin-1-ylanilino)-2-pyridinyl]oxolane-2-carboxamide
CID 113035628
N-[6-(4-methoxyanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113019484
N-[6-(2,3-dimethylanilino)-3-pyridinyl]oxolane-2-carboxamide
CID 113017251
N-[5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]oxolane-2-carboxamide
CID 113036581
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]oxolane-2-carboxamide
CID 113048618
(2S)-N-(5-iodo-2-pyridinyl)oxolane-2-carboxamide
CID 103873257
(2S)-N-(5-bromo-2-pyridinyl)oxolane-2-carboxamide
CID 7346608

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide?
The IUPAC name of N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide (CID 113036541) is N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide?
The canonical SMILES for N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide is O=C(Nc1ccc(Nc2ccccc2Oc2ccccc2)cn1)C1CCCO1.
What is the InChIKey of N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide?
The InChIKey is YOICEZBYLBWUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c26-22(20-11-6-14-27-20)25-21-13-12-16(15-23-21)24-18-9-4-5-10-19(18)28-17-7-2-1-3-8-17/h1-5,7-10,12-13,15,20,24H,6,11,14H2,(H,23,25,26).
What are the key properties of N-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide?
N-[5-(2-phenoxyanilino)-2-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-[5-(2-phenoxyanilino)-2-pyridinyl]oxolane-2-carboxamide is sourced from PubChem (CID 113036541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).