N-benzyl-2-iodo-N-methylpyridine-4-carboxamide

C14H13IN2O — CID 141379773

IUPACN-benzyl-2-iodo-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(I)c1
InChIInChI=1S/C14H13IN2O/c1-17(10-11-5-3-2-4-6-11)14(18)12-7-8-16-13(15)9-12/h2-9H,10H2,1H3
InChIKeyWQJQUQONTXUKDY-UHFFFAOYSA-N
MW352.18 g/mol
LogP2.96
Rot. Bonds3

About N-benzyl-2-iodo-N-methylpyridine-4-carboxamide

N-benzyl-2-iodo-N-methylpyridine-4-carboxamide (PubChem CID 141379773) has the molecular formula C14H13IN2O and a molecular weight of 352.18 g/mol. Its IUPAC name is N-benzyl-2-iodo-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-iodo-N-methylpyridine-4-carboxamide
PubChem CID141379773
Molecular FormulaC14H13IN2O
Molecular Weight352.18 g/mol
Exact Mass352.01
IUPAC NameN-benzyl-2-iodo-N-methylpyridine-4-carboxamide
SMILESCN(Cc1ccccc1)C(=O)c1ccnc(I)c1
InChIInChI=1S/C14H13IN2O/c1-17(10-11-5-3-2-4-6-11)14(18)12-7-8-16-13(15)9-12/h2-9H,10H2,1H3
InChIKeyWQJQUQONTXUKDY-UHFFFAOYSA-N
XLogP2.96
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.18
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-benzyl-N-methylpyridine-4-carboxamide
CID 7038821
N-benzyl-N-methyl-2-(pyrrolidine-1-carbonyl)pyridine-4-carboxamide
CID 109080522
N-benzyl-N-methyl-2-(morpholine-4-carbonyl)pyridine-4-carboxamide
CID 109082965
4-N-benzyl-2-N-(2-ethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086209
N-benzyl-N-methyl-2-(pentylamino)pyridine-4-carboxamide
CID 109170237
2-(4-acetylpiperazin-1-yl)-N-benzyl-N-methylpyridine-4-carboxamide
CID 109169122
N-benzyl-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxamide
CID 110131635
N-benzyl-N-methyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-4-carboxamide
CID 109170232
N-benzyl-N-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109170283
4-N-benzyl-2-N-(3,5-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086206
4-N-benzyl-2-N-(2,6-dimethylphenyl)-4-N-methylpyridine-2,4-dicarboxamide
CID 109086207
3,5-diamino-N-benzyl-N-methylbenzamide
CID 61092300

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-iodo-N-methylpyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-iodo-N-methylpyridine-4-carboxamide (CID 141379773) is N-benzyl-2-iodo-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-iodo-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-iodo-N-methylpyridine-4-carboxamide is CN(Cc1ccccc1)C(=O)c1ccnc(I)c1.
What is the InChIKey of N-benzyl-2-iodo-N-methylpyridine-4-carboxamide?
The InChIKey is WQJQUQONTXUKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13IN2O/c1-17(10-11-5-3-2-4-6-11)14(18)12-7-8-16-13(15)9-12/h2-9H,10H2,1H3.
What are the key properties of N-benzyl-2-iodo-N-methylpyridine-4-carboxamide?
N-benzyl-2-iodo-N-methylpyridine-4-carboxamide has a molecular weight of 352.18 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-iodo-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 141379773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).