N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide

C21H25N3O4 — CID 55742217

IUPACN-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H25N3O4/c1-14(2)28-21-16(7-4-10-22-21)13-23-19(25)15-6-3-8-17(12-15)24-20(26)18-9-5-11-27-18/h3-4,6-8,10,12,14,18H,5,9,11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKTBFFNROBFYHRU-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.92
Rot. Bonds7

About N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide

N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (PubChem CID 55742217) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
PubChem CID55742217
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
SMILESCC(C)Oc1ncccc1CNC(=O)c1cccc(NC(=O)C2CCCO2)c1
InChIInChI=1S/C21H25N3O4/c1-14(2)28-21-16(7-4-10-22-21)13-23-19(25)15-6-3-8-17(12-15)24-20(26)18-9-5-11-27-18/h3-4,6-8,10,12,14,18H,5,9,11,13H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyKTBFFNROBFYHRU-UHFFFAOYSA-N
XLogP2.92
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[[(3-propan-2-yloxypyrazin-2-yl)amino]methyl]phenyl]oxolane-2-carboxamide
CID 133442683
N-[3-(benzylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 2971215
N-[3-(thiophen-2-ylmethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 42889236
1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]isoindole-5-carboxamide
CID 55780551
N-[3-[[3-(methylcarbamoyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 46592689
N-[3-[2-(methylamino)ethylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 119504077
N-[3-(2-hydroxyethylcarbamoyl)phenyl]oxolane-2-carboxamide
CID 78845452
N-[(2-ethoxy-3-pyridinyl)methyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55651098
3-cyano-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 51082279
N-[3-[[3-(imidazol-1-ylmethyl)phenyl]methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 55636384
5-[[[3-(oxolane-2-carbonylamino)benzoyl]amino]methyl]furan-2-carboxylic acid
CID 119245842
N-[3-[(4-cyanophenyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide
CID 134035566

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The IUPAC name of N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide (CID 55742217) is N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide.
What is the SMILES notation for N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The canonical SMILES for N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is CC(C)Oc1ncccc1CNC(=O)c1cccc(NC(=O)C2CCCO2)c1.
What is the InChIKey of N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
The InChIKey is KTBFFNROBFYHRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-14(2)28-21-16(7-4-10-22-21)13-23-19(25)15-6-3-8-17(12-15)24-20(26)18-9-5-11-27-18/h3-4,6-8,10,12,14,18H,5,9,11,13H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide?
N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.92, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-propan-2-yloxy-3-pyridinyl)methylcarbamoyl]phenyl]oxolane-2-carboxamide is sourced from PubChem (CID 55742217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).