N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide

C18H24N4O4 — CID 146110268

IUPACN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
SMILESCOCCOc1cc(C(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)ccn1
InChIInChI=1S/C18H24N4O4/c1-25-6-7-26-17-10-14(2-3-20-17)18(24)21-15-8-13(9-16(15)23)11-22-5-4-19-12-22/h2-5,10,12-13,15-16,23H,6-9,11H2,1H3,(H,21,24)/t13?,15-,16-/m1/s1
InChIKeySLADVOKQAMCXGH-GNHXQJIDSA-N
MW360.41 g/mol
LogP0.87
Rot. Bonds8

About N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide

N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide (PubChem CID 146110268) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
PubChem CID146110268
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC NameN-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide
SMILESCOCCOc1cc(C(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)ccn1
InChIInChI=1S/C18H24N4O4/c1-25-6-7-26-17-10-14(2-3-20-17)18(24)21-15-8-13(9-16(15)23)11-22-5-4-19-12-22/h2-5,10,12-13,15-16,23H,6-9,11H2,1H3,(H,21,24)/t13?,15-,16-/m1/s1
InChIKeySLADVOKQAMCXGH-GNHXQJIDSA-N
XLogP0.87
TPSA98.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide (CID 146110268) is N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide is COCCOc1cc(C(=O)N[C@@H]2CC(Cn3ccnc3)C[C@H]2O)ccn1.
What is the InChIKey of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide?
The InChIKey is SLADVOKQAMCXGH-GNHXQJIDSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-25-6-7-26-17-10-14(2-3-20-17)18(24)21-15-8-13(9-16(15)23)11-22-5-4-19-12-22/h2-5,10,12-13,15-16,23H,6-9,11H2,1H3,(H,21,24)/t13?,15-,16-/m1/s1.
What are the key properties of N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide?
N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide has a molecular weight of 360.41 g/mol, XLogP of 0.87, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-hydroxy-4-(imidazol-1-ylmethyl)cyclopentyl]-2-(2-methoxyethoxy)pyridine-4-carboxamide is sourced from PubChem (CID 146110268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).