N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide

C24H24N4O3 — CID 11373403

IUPACN-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide
SMILESCNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOC3)c2)c1
InChIInChI=1S/C24H24N4O3/c1-25-23(29)19-11-18(12-21(13-19)27-20-5-3-2-4-6-20)16-7-9-26-22(14-16)28-24(30)17-8-10-31-15-17/h2-7,9,11-14,17,27H,8,10,15H2,1H3,(H,25,29)(H,26,28,30)
InChIKeyGRYWVQWQBQZFIC-UHFFFAOYSA-N
MW416.48 g/mol
LogP3.83
Rot. Bonds6

About N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide

N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide (PubChem CID 11373403) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide
PubChem CID11373403
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide
SMILESCNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOC3)c2)c1
InChIInChI=1S/C24H24N4O3/c1-25-23(29)19-11-18(12-21(13-19)27-20-5-3-2-4-6-20)16-7-9-26-22(14-16)28-24(30)17-8-10-31-15-17/h2-7,9,11-14,17,27H,8,10,15H2,1H3,(H,25,29)(H,26,28,30)
InChIKeyGRYWVQWQBQZFIC-UHFFFAOYSA-N
XLogP3.83
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 53.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide (CID 11373403) is N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide is CNC(=O)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOC3)c2)c1.
What is the InChIKey of N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide?
The InChIKey is GRYWVQWQBQZFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-25-23(29)19-11-18(12-21(13-19)27-20-5-3-2-4-6-20)16-7-9-26-22(14-16)28-24(30)17-8-10-31-15-17/h2-7,9,11-14,17,27H,8,10,15H2,1H3,(H,25,29)(H,26,28,30).
What are the key properties of N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide?
N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 3.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-anilino-5-(methylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 11373403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).