3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide

C16H15IN2O — CID 67217666

IUPAC3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1I
InChIInChI=1S/C16H15IN2O/c1-11-5-6-12(10-13(11)17)15(20)19-16(7-8-16)14-4-2-3-9-18-14/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyHSHKDTJMXLHYAY-UHFFFAOYSA-N
MW378.21 g/mol
LogP3.41
Rot. Bonds3

About 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide

3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide (PubChem CID 67217666) has the molecular formula C16H15IN2O and a molecular weight of 378.21 g/mol. Its IUPAC name is 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide.

Molecular Properties

Compound Name3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
PubChem CID67217666
Molecular FormulaC16H15IN2O
Molecular Weight378.21 g/mol
Exact Mass378.02
IUPAC Name3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
SMILESCc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1I
InChIInChI=1S/C16H15IN2O/c1-11-5-6-12(10-13(11)17)15(20)19-16(7-8-16)14-4-2-3-9-18-14/h2-6,9-10H,7-8H2,1H3,(H,19,20)
InChIKeyHSHKDTJMXLHYAY-UHFFFAOYSA-N
XLogP3.41
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-iodo-4-methylbenzohydrazide
CID 59732500
2-amino-N-(1-pyridin-2-ylcyclopropyl)propanamide;dihydrochloride
CID 67391715
2-(2,2-dimethylbutyl)-3-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide
CID 70811783
methyl N-(8-pyridin-2-yl-1,4-dioxaspiro[4.5]decan-8-yl)carbamate
CID 118666490
2-(4-fluorophenyl)-N-methyl-5-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]-2,3-dihydrofuro[3,2-b]pyridine-3-carboxamide
CID 67963121
2-[(4-fluorophenyl)methyl]-6-[2-methyl-5-[(1-pyridin-2-ylcyclopropyl)carbamoyl]phenyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 90869134
4-amino-3-methyl-N-(1-phenylcyclopropyl)benzamide
CID 110464061
3-tert-butyl-2-ethenoxy-N-(1-pyridin-2-ylcyclopropyl)benzamide
CID 69191528
N-(1-pyridin-2-ylcyclopropyl)tricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
CID 141292822
N-(2,3-dimethylphenyl)-3-iodo-4-methylbenzamide
CID 2213666
N'-(2-bromobenzoyl)-3-iodo-4-methylbenzohydrazide
CID 4924985
methyl N-(4-hydroxy-4-propoxy-1-pyridin-2-ylcyclohexyl)carbamate
CID 155198395

Frequently Asked Questions

What is the IUPAC name of 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide?
The IUPAC name of 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide (CID 67217666) is 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide.
What is the SMILES notation for 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide?
The canonical SMILES for 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide is Cc1ccc(C(=O)NC2(c3ccccn3)CC2)cc1I.
What is the InChIKey of 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide?
The InChIKey is HSHKDTJMXLHYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2O/c1-11-5-6-12(10-13(11)17)15(20)19-16(7-8-16)14-4-2-3-9-18-14/h2-6,9-10H,7-8H2,1H3,(H,19,20).
What are the key properties of 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide?
3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide has a molecular weight of 378.21 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-4-methyl-N-(1-pyridin-2-ylcyclopropyl)benzamide is sourced from PubChem (CID 67217666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).