N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide

C16H17N3O2 — CID 111972019

IUPACN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C16H17N3O2/c20-11-12-3-5-14(9-12)18-16(21)13-4-6-15(17-10-13)19-7-1-2-8-19/h1-8,10,12,14,20H,9,11H2,(H,18,21)/t12-,14+/m0/s1
InChIKeyUVDRWMZNMGVYIP-GXTWGEPZSA-N
MW283.33 g/mol
LogP1.54
Rot. Bonds4

About N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide

N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide (PubChem CID 111972019) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
PubChem CID111972019
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC NameN-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide
SMILESO=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-n2cccc2)nc1
InChIInChI=1S/C16H17N3O2/c20-11-12-3-5-14(9-12)18-16(21)13-4-6-15(17-10-13)19-7-1-2-8-19/h1-8,10,12,14,20H,9,11H2,(H,18,21)/t12-,14+/m0/s1
InChIKeyUVDRWMZNMGVYIP-GXTWGEPZSA-N
XLogP1.54
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide (CID 111972019) is N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide is O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(-n2cccc2)nc1.
What is the InChIKey of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide?
The InChIKey is UVDRWMZNMGVYIP-GXTWGEPZSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-11-12-3-5-14(9-12)18-16(21)13-4-6-15(17-10-13)19-7-1-2-8-19/h1-8,10,12,14,20H,9,11H2,(H,18,21)/t12-,14+/m0/s1.
What are the key properties of N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide?
N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide has a molecular weight of 283.33 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,4R)-4-(hydroxymethyl)cyclopent-2-en-1-yl]-6-pyrrol-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 111972019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).