N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide

C16H16IN3O2 — CID 8990901

IUPACN-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccccc2I)cn1
InChIInChI=1S/C16H16IN3O2/c1-11-6-7-12(10-20-11)15(21)18-8-9-19-16(22)13-4-2-3-5-14(13)17/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyLGOWVWIPJMDIOU-UHFFFAOYSA-N
MW409.23 g/mol
LogP2.15
Rot. Bonds5

About N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide

N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide (PubChem CID 8990901) has the molecular formula C16H16IN3O2 and a molecular weight of 409.23 g/mol. Its IUPAC name is N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
PubChem CID8990901
Molecular FormulaC16H16IN3O2
Molecular Weight409.23 g/mol
Exact Mass409.03
IUPAC NameN-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCNC(=O)c2ccccc2I)cn1
InChIInChI=1S/C16H16IN3O2/c1-11-6-7-12(10-20-11)15(21)18-8-9-19-16(22)13-4-2-3-5-14(13)17/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,22)
InChIKeyLGOWVWIPJMDIOU-UHFFFAOYSA-N
XLogP2.15
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.23
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-N-[2-(naphthalene-1-carbonylamino)ethyl]pyridine-3-carboxamide
CID 8990934
6-methyl-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 62657976
6-methyl-N-[2-[(2-phenylacetyl)amino]ethyl]pyridine-3-carboxamide
CID 6498633
6-methyl-N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]pyridine-3-carboxamide
CID 3159007
2-iodo-N-[2-[(3-methylbenzoyl)amino]ethyl]benzamide
CID 108539173
N-(3-hydroxypropyl)-6-methylpyridine-3-carboxamide
CID 43417610
2-hydroxy-N-[2-[(2-iodobenzoyl)amino]ethyl]benzamide
CID 108539161
methyl N-[2-[(2-iodobenzoyl)amino]ethyl]carbamate
CID 108571243
6-methyl-N-phenacylpyridine-3-carboxamide
CID 64991652
6-methyl-N-[3-[(2-methyl-3-nitrobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 8990949
6-methyl-N-[2-(prop-2-enylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 18158456
N-(3-bromobutyl)-6-methylpyridine-3-carboxamide
CID 114312474

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide (CID 8990901) is N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)NCCNC(=O)c2ccccc2I)cn1.
What is the InChIKey of N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
The InChIKey is LGOWVWIPJMDIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O2/c1-11-6-7-12(10-20-11)15(21)18-8-9-19-16(22)13-4-2-3-5-14(13)17/h2-7,10H,8-9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide?
N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide has a molecular weight of 409.23 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2-iodobenzoyl)amino]ethyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 8990901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).