(2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide

C18H18BrN3O4 — CID 97249037

IUPAC(2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)ncc1Br
InChIInChI=1S/C18H18BrN3O4/c1-25-15-9-16(20-10-13(15)19)22-17(23)11-4-2-5-12(8-11)21-18(24)14-6-3-7-26-14/h2,4-5,8-10,14H,3,6-7H2,1H3,(H,21,24)(H,20,22,23)/t14-/m1/s1
InChIKeyOTJDLWYZNSQFEM-CQSZACIVSA-N
MW420.26 g/mol
LogP3.22
Rot. Bonds5

About (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide

(2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 97249037) has the molecular formula C18H18BrN3O4 and a molecular weight of 420.26 g/mol. Its IUPAC name is (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID97249037
Molecular FormulaC18H18BrN3O4
Molecular Weight420.26 g/mol
Exact Mass419.05
IUPAC Name(2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide
SMILESCOc1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)ncc1Br
InChIInChI=1S/C18H18BrN3O4/c1-25-15-9-16(20-10-13(15)19)22-17(23)11-4-2-5-12(8-11)21-18(24)14-6-3-7-26-14/h2,4-5,8-10,14H,3,6-7H2,1H3,(H,21,24)(H,20,22,23)/t14-/m1/s1
InChIKeyOTJDLWYZNSQFEM-CQSZACIVSA-N
XLogP3.22
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(5-chloro-2-methoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46635100
methyl 3-[2-[3-[[3-(oxolane-2-carbonylamino)benzoyl]amino]phenyl]ethynyl]benzoate
CID 46541035
methyl 3-[[6-(oxolane-2-carbonylamino)-3-pyridinyl]amino]benzoate
CID 113035315
N-[3-[(2-ethoxyphenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943946
(2R)-N-(3-methoxyphenyl)oxolane-2-carboxamide
CID 898392
N-[3-[(3-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 42943923
N-[3-[(3-fluorophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 46634846
N-(5-bromo-4-methoxy-2-pyridinyl)-3-[(2S)-oxolan-2-yl]propanamide
CID 97328983
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
N-[3-[[6-(diethylamino)-3-pyridinyl]carbamoyl]phenyl]oxolane-2-carboxamide
CID 55784217
(2S)-N-[3-(1,3-thiazol-2-ylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 7268826
(2S)-N-[3-[(4-iodophenyl)carbamoyl]phenyl]oxolane-2-carboxamide
CID 32800947

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide (CID 97249037) is (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide is COc1cc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)ncc1Br.
What is the InChIKey of (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is OTJDLWYZNSQFEM-CQSZACIVSA-N. The full InChI is InChI=1S/C18H18BrN3O4/c1-25-15-9-16(20-10-13(15)19)22-17(23)11-4-2-5-12(8-11)21-18(24)14-6-3-7-26-14/h2,4-5,8-10,14H,3,6-7H2,1H3,(H,21,24)(H,20,22,23)/t14-/m1/s1.
What are the key properties of (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide?
(2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 420.26 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[3-[(5-bromo-4-methoxy-2-pyridinyl)carbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 97249037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).