N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide

C16H18IN3O3 — CID 148899227

IUPACN-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide
SMILESCc1cc(I)[nH]c(=O)c1CNC(=O)c1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C16H18IN3O3/c1-9(2)20-5-4-11(7-14(20)21)15(22)18-8-12-10(3)6-13(17)19-16(12)23/h4-7,9H,8H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyPGLQELLDXSYGEU-UHFFFAOYSA-N
MW427.24 g/mol
LogP1.96
Rot. Bonds4

About N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide

N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide (PubChem CID 148899227) has the molecular formula C16H18IN3O3 and a molecular weight of 427.24 g/mol. Its IUPAC name is N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide
PubChem CID148899227
Molecular FormulaC16H18IN3O3
Molecular Weight427.24 g/mol
Exact Mass427.04
IUPAC NameN-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide
SMILESCc1cc(I)[nH]c(=O)c1CNC(=O)c1ccn(C(C)C)c(=O)c1
InChIInChI=1S/C16H18IN3O3/c1-9(2)20-5-4-11(7-14(20)21)15(22)18-8-12-10(3)6-13(17)19-16(12)23/h4-7,9H,8H2,1-3H3,(H,18,22)(H,19,23)
InChIKeyPGLQELLDXSYGEU-UHFFFAOYSA-N
XLogP1.96
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.24
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide (CID 148899227) is N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide is Cc1cc(I)[nH]c(=O)c1CNC(=O)c1ccn(C(C)C)c(=O)c1.
What is the InChIKey of N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide?
The InChIKey is PGLQELLDXSYGEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18IN3O3/c1-9(2)20-5-4-11(7-14(20)21)15(22)18-8-12-10(3)6-13(17)19-16(12)23/h4-7,9H,8H2,1-3H3,(H,18,22)(H,19,23).
What are the key properties of N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide?
N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide has a molecular weight of 427.24 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-iodo-4-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-oxo-1-propan-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 148899227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).