4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide

C24H31N5O4 — CID 137348624

IUPAC4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide
SMILESCCO/N=C/c1ccc(OCC[C@@H](C)CCN2CCN(c3ccnc(C(N)=O)c3)C2=O)cc1
InChIInChI=1S/C24H31N5O4/c1-3-33-27-17-19-4-6-21(7-5-19)32-15-10-18(2)9-12-28-13-14-29(24(28)31)20-8-11-26-22(16-20)23(25)30/h4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,25,30)/b27-17+/t18-/m0/s1
InChIKeyHTAIKSXDOLYLJK-CICSQNLLSA-N
MW453.54 g/mol
LogP3.29
Rot. Bonds12

About 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide

4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide (PubChem CID 137348624) has the molecular formula C24H31N5O4 and a molecular weight of 453.54 g/mol. Its IUPAC name is 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide
PubChem CID137348624
Molecular FormulaC24H31N5O4
Molecular Weight453.54 g/mol
Exact Mass453.24
IUPAC Name4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide
SMILESCCO/N=C/c1ccc(OCC[C@@H](C)CCN2CCN(c3ccnc(C(N)=O)c3)C2=O)cc1
InChIInChI=1S/C24H31N5O4/c1-3-33-27-17-19-4-6-21(7-5-19)32-15-10-18(2)9-12-28-13-14-29(24(28)31)20-8-11-26-22(16-20)23(25)30/h4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,25,30)/b27-17+/t18-/m0/s1
InChIKeyHTAIKSXDOLYLJK-CICSQNLLSA-N
XLogP3.29
TPSA110.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.54
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide (CID 137348624) is 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide is CCO/N=C/c1ccc(OCC[C@@H](C)CCN2CCN(c3ccnc(C(N)=O)c3)C2=O)cc1.
What is the InChIKey of 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide?
The InChIKey is HTAIKSXDOLYLJK-CICSQNLLSA-N. The full InChI is InChI=1S/C24H31N5O4/c1-3-33-27-17-19-4-6-21(7-5-19)32-15-10-18(2)9-12-28-13-14-29(24(28)31)20-8-11-26-22(16-20)23(25)30/h4-8,11,16-18H,3,9-10,12-15H2,1-2H3,(H2,25,30)/b27-17+/t18-/m0/s1.
What are the key properties of 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide?
4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide has a molecular weight of 453.54 g/mol, XLogP of 3.29, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(3S)-5-[4-[(E)-ethoxyiminomethyl]phenoxy]-3-methylpentyl]-2-oxoimidazolidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 137348624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).