N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide

C18H16IN3O — CID 157484375

IUPACN-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N3C=CC=CC3)nc2)ccc1I
InChIInChI=1S/C18H16IN3O/c1-13-11-15(6-7-16(13)19)21-18(23)14-5-8-17(20-12-14)22-9-3-2-4-10-22/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyBWNMXHUENNHTTF-UHFFFAOYSA-N
MW417.25 g/mol
LogP4.14
Rot. Bonds3

About N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide

N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide (PubChem CID 157484375) has the molecular formula C18H16IN3O and a molecular weight of 417.25 g/mol. Its IUPAC name is N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide
PubChem CID157484375
Molecular FormulaC18H16IN3O
Molecular Weight417.25 g/mol
Exact Mass417.03
IUPAC NameN-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(N3C=CC=CC3)nc2)ccc1I
InChIInChI=1S/C18H16IN3O/c1-13-11-15(6-7-16(13)19)21-18(23)14-5-8-17(20-12-14)22-9-3-2-4-10-22/h2-9,11-12H,10H2,1H3,(H,21,23)
InChIKeyBWNMXHUENNHTTF-UHFFFAOYSA-N
XLogP4.14
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.25
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 587314
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-tert-butyl-4-[5-[(3-iodo-4-methylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 59318126
6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 143994451
4-[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91059200
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane
CID 143994505
N-(4-chloro-2-methylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 34232545
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612
6-chloro-N-(4-chloro-3-methylphenyl)pyridine-3-carboxamide
CID 91312921
3-chloro-N-(4-iodo-3-methylphenyl)benzamide
CID 1340030
2-[[5-[(3-iodo-4-methylphenyl)carbamoyl]-2-pyridinyl]sulfanyl]acetic acid
CID 23499535

Frequently Asked Questions

What is the IUPAC name of N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide (CID 157484375) is N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide is Cc1cc(NC(=O)c2ccc(N3C=CC=CC3)nc2)ccc1I.
What is the InChIKey of N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide?
The InChIKey is BWNMXHUENNHTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16IN3O/c1-13-11-15(6-7-16(13)19)21-18(23)14-5-8-17(20-12-14)22-9-3-2-4-10-22/h2-9,11-12H,10H2,1H3,(H,21,23).
What are the key properties of N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide?
N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide has a molecular weight of 417.25 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 157484375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).