N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide

C16H13N5O2 — CID 162247203

IUPACN-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide
SMILES[C-]#[N+]c1ncc(O)c(C(=O)NC2=NCCN2)c1-c1ccccc1
InChIInChI=1S/C16H13N5O2/c1-17-14-12(10-5-3-2-4-6-10)13(11(22)9-20-14)15(23)21-16-18-7-8-19-16/h2-6,9,22H,7-8H2,(H2,18,19,21,23)
InChIKeyZXMOOGNQAKHFES-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.69
Rot. Bonds2

About N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide

N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide (PubChem CID 162247203) has the molecular formula C16H13N5O2 and a molecular weight of 307.31 g/mol. Its IUPAC name is N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide
PubChem CID162247203
Molecular FormulaC16H13N5O2
Molecular Weight307.31 g/mol
Exact Mass307.11
IUPAC NameN-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide
SMILES[C-]#[N+]c1ncc(O)c(C(=O)NC2=NCCN2)c1-c1ccccc1
InChIInChI=1S/C16H13N5O2/c1-17-14-12(10-5-3-2-4-6-10)13(11(22)9-20-14)15(23)21-16-18-7-8-19-16/h2-6,9,22H,7-8H2,(H2,18,19,21,23)
InChIKeyZXMOOGNQAKHFES-UHFFFAOYSA-N
XLogP1.69
TPSA90.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide?
The IUPAC name of N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide (CID 162247203) is N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide.
What is the SMILES notation for N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide?
The canonical SMILES for N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide is [C-]#[N+]c1ncc(O)c(C(=O)NC2=NCCN2)c1-c1ccccc1.
What is the InChIKey of N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide?
The InChIKey is ZXMOOGNQAKHFES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2/c1-17-14-12(10-5-3-2-4-6-10)13(11(22)9-20-14)15(23)21-16-18-7-8-19-16/h2-6,9,22H,7-8H2,(H2,18,19,21,23).
What are the key properties of N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide?
N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide has a molecular weight of 307.31 g/mol, XLogP of 1.69, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dihydro-1H-imidazol-2-yl)-5-hydroxy-2-isocyano-3-phenylpyridine-4-carboxamide is sourced from PubChem (CID 162247203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).