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

C29H33N5O4 — CID 11455101

IUPACN-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOC3)c2)c1
InChIInChI=1S/C29H33N5O4/c35-28(31-9-10-34-11-14-37-15-12-34)24-16-23(17-26(18-24)32-25-4-2-1-3-5-25)21-6-8-30-27(19-21)33-29(36)22-7-13-38-20-22/h1-6,8,16-19,22,32H,7,9-15,20H2,(H,31,35)(H,30,33,36)
InChIKeyIESXGGHTXWVXSG-UHFFFAOYSA-N
MW515.61 g/mol
LogP3.53
Rot. Bonds9

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

N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide (PubChem CID 11455101) has the molecular formula C29H33N5O4 and a molecular weight of 515.61 g/mol. Its IUPAC name is N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide
PubChem CID11455101
Molecular FormulaC29H33N5O4
Molecular Weight515.61 g/mol
Exact Mass515.25
IUPAC NameN-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide
SMILESO=C(NCCN1CCOCC1)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOC3)c2)c1
InChIInChI=1S/C29H33N5O4/c35-28(31-9-10-34-11-14-37-15-12-34)24-16-23(17-26(18-24)32-25-4-2-1-3-5-25)21-6-8-30-27(19-21)33-29(36)22-7-13-38-20-22/h1-6,8,16-19,22,32H,7,9-15,20H2,(H,31,35)(H,30,33,36)
InChIKeyIESXGGHTXWVXSG-UHFFFAOYSA-N
XLogP3.53
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.61
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide?
The IUPAC name of N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide (CID 11455101) is N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide?
The canonical SMILES for N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide is O=C(NCCN1CCOCC1)c1cc(Nc2ccccc2)cc(-c2ccnc(NC(=O)C3CCOC3)c2)c1.
What is the InChIKey of N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide?
The InChIKey is IESXGGHTXWVXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N5O4/c35-28(31-9-10-34-11-14-37-15-12-34)24-16-23(17-26(18-24)32-25-4-2-1-3-5-25)21-6-8-30-27(19-21)33-29(36)22-7-13-38-20-22/h1-6,8,16-19,22,32H,7,9-15,20H2,(H,31,35)(H,30,33,36).
What are the key properties of N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide?
N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide has a molecular weight of 515.61 g/mol, XLogP of 3.53, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-anilino-5-(2-morpholin-4-ylethylcarbamoyl)phenyl]-2-pyridinyl]oxolane-3-carboxamide is sourced from PubChem (CID 11455101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).