N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide

C15H14IN5O2 — CID 68746100

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccccn2)c(I)n1
InChIInChI=1S/C15H14IN5O2/c1-9-11(10(2)23-20-9)7-21-8-13(14(16)19-21)18-15(22)12-5-3-4-6-17-12/h3-6,8H,7H2,1-2H3,(H,18,22)
InChIKeySXTIGCAWABBLDP-UHFFFAOYSA-N
MW423.21 g/mol
LogP2.79
Rot. Bonds4

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide (PubChem CID 68746100) has the molecular formula C15H14IN5O2 and a molecular weight of 423.21 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide
PubChem CID68746100
Molecular FormulaC15H14IN5O2
Molecular Weight423.21 g/mol
Exact Mass423.02
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)c2ccccn2)c(I)n1
InChIInChI=1S/C15H14IN5O2/c1-9-11(10(2)23-20-9)7-21-8-13(14(16)19-21)18-15(22)12-5-3-4-6-17-12/h3-6,8H,7H2,1-2H3,(H,18,22)
InChIKeySXTIGCAWABBLDP-UHFFFAOYSA-N
XLogP2.79
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.21
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide (CID 68746100) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide is Cc1noc(C)c1Cn1cc(NC(=O)c2ccccn2)c(I)n1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide?
The InChIKey is SXTIGCAWABBLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14IN5O2/c1-9-11(10(2)23-20-9)7-21-8-13(14(16)19-21)18-15(22)12-5-3-4-6-17-12/h3-6,8H,7H2,1-2H3,(H,18,22).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide has a molecular weight of 423.21 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-iodopyrazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 68746100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).