N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide

C16H17IN2O — CID 103741244

IUPACN-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(Cc1ccccn1)C(=O)c1cccc(C)c1I
InChIInChI=1S/C16H17IN2O/c1-3-19(11-13-8-4-5-10-18-13)16(20)14-9-6-7-12(2)15(14)17/h4-10H,3,11H2,1-2H3
InChIKeyCLSQEVSNOIRHCV-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.66
Rot. Bonds4

About N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide

N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 103741244) has the molecular formula C16H17IN2O and a molecular weight of 380.23 g/mol. Its IUPAC name is N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
PubChem CID103741244
Molecular FormulaC16H17IN2O
Molecular Weight380.23 g/mol
Exact Mass380.04
IUPAC NameN-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide
SMILESCCN(Cc1ccccn1)C(=O)c1cccc(C)c1I
InChIInChI=1S/C16H17IN2O/c1-3-19(11-13-8-4-5-10-18-13)16(20)14-9-6-7-12(2)15(14)17/h4-10H,3,11H2,1-2H3
InChIKeyCLSQEVSNOIRHCV-UHFFFAOYSA-N
XLogP3.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-2-fluoro-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 114037745
3-amino-N-ethyl-N-(pyridin-2-ylmethyl)propanamide
CID 39241658
N-ethyl-8-methyl-2-(2-methylpyrimidin-5-yl)-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 46997710
2-[(2-iodo-3-methylbenzoyl)-propylamino]acetic acid
CID 113263220
2-bromo-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-4-carboxamide
CID 103755974
5-amino-N-ethyl-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 81316352
N-ethyl-2-hydroxy-4-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 75504350
N-ethyl-N-(pyridin-2-ylmethyl)-3-sulfanylpropanamide
CID 107032625
2-ethoxy-N-(2-phenylethyl)-N-(pyridin-2-ylmethyl)benzamide
CID 121084459
4-[(dipropylamino)methyl]-N-ethyl-N-(pyridin-2-ylmethyl)benzamide
CID 50948158
N-(2-methoxyethyl)-2-methyl-3-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 51090979
N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)-2-sulfanylbutanamide
CID 107032618

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide (CID 103741244) is N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide is CCN(Cc1ccccn1)C(=O)c1cccc(C)c1I.
What is the InChIKey of N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is CLSQEVSNOIRHCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17IN2O/c1-3-19(11-13-8-4-5-10-18-13)16(20)14-9-6-7-12(2)15(14)17/h4-10H,3,11H2,1-2H3.
What are the key properties of N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide?
N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 380.23 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-iodo-3-methyl-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 103741244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).