N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide

C18H24IN5O3 — CID 23511619

IUPACN-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCCCc1c(NC(=O)c2cc(I)cnc2OCC(C)C)c(C(N)=O)nn1C
InChIInChI=1S/C18H24IN5O3/c1-5-6-13-14(15(16(20)25)23-24(13)4)22-17(26)12-7-11(19)8-21-18(12)27-9-10(2)3/h7-8,10H,5-6,9H2,1-4H3,(H2,20,25)(H,22,26)
InChIKeyHPQFRLJBZNNDPK-UHFFFAOYSA-N
MW485.33 g/mol
LogP2.76
Rot. Bonds8

About N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide

N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide (PubChem CID 23511619) has the molecular formula C18H24IN5O3 and a molecular weight of 485.33 g/mol. Its IUPAC name is N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide
PubChem CID23511619
Molecular FormulaC18H24IN5O3
Molecular Weight485.33 g/mol
Exact Mass485.09
IUPAC NameN-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide
SMILESCCCc1c(NC(=O)c2cc(I)cnc2OCC(C)C)c(C(N)=O)nn1C
InChIInChI=1S/C18H24IN5O3/c1-5-6-13-14(15(16(20)25)23-24(13)4)22-17(26)12-7-11(19)8-21-18(12)27-9-10(2)3/h7-8,10H,5-6,9H2,1-4H3,(H2,20,25)(H,22,26)
InChIKeyHPQFRLJBZNNDPK-UHFFFAOYSA-N
XLogP2.76
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
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-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide?
The IUPAC name of N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide (CID 23511619) is N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide is CCCc1c(NC(=O)c2cc(I)cnc2OCC(C)C)c(C(N)=O)nn1C.
What is the InChIKey of N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide?
The InChIKey is HPQFRLJBZNNDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24IN5O3/c1-5-6-13-14(15(16(20)25)23-24(13)4)22-17(26)12-7-11(19)8-21-18(12)27-9-10(2)3/h7-8,10H,5-6,9H2,1-4H3,(H2,20,25)(H,22,26).
What are the key properties of N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide?
N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide has a molecular weight of 485.33 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-methyl-5-propylpyrazol-4-yl)-5-iodo-2-(2-methylpropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 23511619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).