6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide

C20H30N4O4 — CID 91925639

IUPAC6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCN2CCOCC2)cn1
InChIInChI=1S/C20H30N4O4/c1-27-18-7-6-15(14-22-18)19(25)23-17-5-2-4-16(17)20(26)21-8-3-9-24-10-12-28-13-11-24/h6-7,14,16-17H,2-5,8-13H2,1H3,(H,21,26)(H,23,25)/t16-,17+/m0/s1
InChIKeyJQYAIGUVJHPZIZ-DLBZAZTESA-N
MW390.48 g/mol
LogP0.83
Rot. Bonds8

About 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide

6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide (PubChem CID 91925639) has the molecular formula C20H30N4O4 and a molecular weight of 390.48 g/mol. Its IUPAC name is 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
PubChem CID91925639
Molecular FormulaC20H30N4O4
Molecular Weight390.48 g/mol
Exact Mass390.23
IUPAC Name6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCN2CCOCC2)cn1
InChIInChI=1S/C20H30N4O4/c1-27-18-7-6-15(14-22-18)19(25)23-17-5-2-4-16(17)20(26)21-8-3-9-24-10-12-28-13-11-24/h6-7,14,16-17H,2-5,8-13H2,1H3,(H,21,26)(H,23,25)/t16-,17+/m0/s1
InChIKeyJQYAIGUVJHPZIZ-DLBZAZTESA-N
XLogP0.83
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.48
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide (CID 91925639) is 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide is COc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C(=O)NCCCN2CCOCC2)cn1.
What is the InChIKey of 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
The InChIKey is JQYAIGUVJHPZIZ-DLBZAZTESA-N. The full InChI is InChI=1S/C20H30N4O4/c1-27-18-7-6-15(14-22-18)19(25)23-17-5-2-4-16(17)20(26)21-8-3-9-24-10-12-28-13-11-24/h6-7,14,16-17H,2-5,8-13H2,1H3,(H,21,26)(H,23,25)/t16-,17+/m0/s1.
What are the key properties of 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide?
6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide has a molecular weight of 390.48 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[(1R,2S)-2-(3-morpholin-4-ylpropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide is sourced from PubChem (CID 91925639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).