2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide

C18H20IN3O — CID 112801637

IUPAC2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(Cc1cccnc1)C1CC1
InChIInChI=1S/C18H20IN3O/c1-13-9-15(19)4-7-17(13)21-18(23)12-22(16-5-6-16)11-14-3-2-8-20-10-14/h2-4,7-10,16H,5-6,11-12H2,1H3,(H,21,23)
InChIKeyAMQFWCGDYDNKDW-UHFFFAOYSA-N
MW421.28 g/mol
LogP3.60
Rot. Bonds6

About 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide

2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide (PubChem CID 112801637) has the molecular formula C18H20IN3O and a molecular weight of 421.28 g/mol. Its IUPAC name is 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
PubChem CID112801637
Molecular FormulaC18H20IN3O
Molecular Weight421.28 g/mol
Exact Mass421.07
IUPAC Name2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
SMILESCc1cc(I)ccc1NC(=O)CN(Cc1cccnc1)C1CC1
InChIInChI=1S/C18H20IN3O/c1-13-9-15(19)4-7-17(13)21-18(23)12-22(16-5-6-16)11-14-3-2-8-20-10-14/h2-4,7-10,16H,5-6,11-12H2,1H3,(H,21,23)
InChIKeyAMQFWCGDYDNKDW-UHFFFAOYSA-N
XLogP3.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.28
LogP ≤ 53.60
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

2-[cyclopropyl-[2-(4-iodo-2-methylanilino)-2-oxoethyl]amino]acetic acid
CID 60833237
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(2-phenylsulfanylphenyl)acetamide
CID 112801638
2-[ethyl(piperidin-4-yl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 60807142
N-(2,4-dimethylphenyl)-2-[methylsulfonyl(pyridin-3-ylmethyl)amino]acetamide
CID 113151652
1-cyclopropyl-3-(2-methyl-4-nitrophenyl)-1-(pyridin-3-ylmethyl)urea
CID 86797034
N-(3-tert-butyl-1-phenylpyrazol-5-yl)-2-[cyclopropyl(pyridin-3-ylmethyl)amino]acetamide
CID 112801690
2-[azetidin-3-yl(methyl)amino]-N-(4-iodo-2-methylphenyl)acetamide
CID 66186902
2-[cyclopropyl(thiophen-3-ylmethyl)amino]-N-(2,4-dimethylphenyl)acetamide
CID 60516341
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
2-(cyclopropylmethylamino)-N-(4-iodo-2-methylphenyl)acetamide
CID 54924927
N-(4-iodo-2-methylphenyl)-2-[methyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106614241
N-(4-iodo-2-methylphenyl)-3-oxobutanamide
CID 61250967

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The IUPAC name of 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide (CID 112801637) is 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The canonical SMILES for 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide is Cc1cc(I)ccc1NC(=O)CN(Cc1cccnc1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
The InChIKey is AMQFWCGDYDNKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20IN3O/c1-13-9-15(19)4-7-17(13)21-18(23)12-22(16-5-6-16)11-14-3-2-8-20-10-14/h2-4,7-10,16H,5-6,11-12H2,1H3,(H,21,23).
What are the key properties of 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide?
2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide has a molecular weight of 421.28 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(pyridin-3-ylmethyl)amino]-N-(4-iodo-2-methylphenyl)acetamide is sourced from PubChem (CID 112801637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).