1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide

C13H14IN3O2 — CID 67508228

IUPAC1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(c2cc(I)ccn2)C2CC2)CC1
InChIInChI=1S/C13H14IN3O2/c14-8-3-6-16-10(7-8)17(9-1-2-9)12(19)13(4-5-13)11(15)18/h3,6-7,9H,1-2,4-5H2,(H2,15,18)
InChIKeyFACGOUQOAXYBDL-UHFFFAOYSA-N
MW371.18 g/mol
LogP1.45
Rot. Bonds4

About 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide

1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide (PubChem CID 67508228) has the molecular formula C13H14IN3O2 and a molecular weight of 371.18 g/mol. Its IUPAC name is 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide.

Molecular Properties

Compound Name1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide
PubChem CID67508228
Molecular FormulaC13H14IN3O2
Molecular Weight371.18 g/mol
Exact Mass371.01
IUPAC Name1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide
SMILESNC(=O)C1(C(=O)N(c2cc(I)ccn2)C2CC2)CC1
InChIInChI=1S/C13H14IN3O2/c14-8-3-6-16-10(7-8)17(9-1-2-9)12(19)13(4-5-13)11(15)18/h3,6-7,9H,1-2,4-5H2,(H2,15,18)
InChIKeyFACGOUQOAXYBDL-UHFFFAOYSA-N
XLogP1.45
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-N'-[4-(aminomethyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 91510208
1-N'-[5-(2-aminoethylcarbamoyl)-2-pyridinyl]-1-N'-cyclopropylcyclopropane-1,1-dicarboxamide
CID 67507894
(4-iodo-2-pyridinyl)-methylsulfonylcarbamic acid
CID 170352505
1-N'-(2-chloropyrimidin-4-yl)-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 165176689
1-N'-benzyl-1-N'-[2-fluoro-4-[[2-[[methyl-(1-methylpiperidin-4-yl)carbamoyl]amino]-4-pyridinyl]oxy]phenyl]cyclopropane-1,1-dicarboxamide
CID 68687531
1-N',1-N'-bis[(1-hydroxycyclobutyl)-phenylmethyl]cyclopropane-1,1-dicarboxamide
CID 66923873
1-(4-methyl-2-pyridinyl)cyclopropane-1-carboxamide
CID 171758467
1-N'-[4-[[2-[[[1-[2-(dimethylamino)ethyl]piperidin-4-yl]-methylcarbamoyl]amino]-4-pyridinyl]oxy]-2-fluorophenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 68687620
(6S)-6-hydroxy-1-(4-iodo-2-pyridinyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 125481278
tert-butyl N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 124679950
tert-butyl N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-N-(4-methyl-2-pyridinyl)carbamate
CID 124679952
1-N'-[4-[(2-acetamido-4-pyridinyl)oxy]-2,5-difluorophenyl]-1-N'-phenylcyclopropane-1,1-dicarboxamide
CID 66604284

Frequently Asked Questions

What is the IUPAC name of 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide?
The IUPAC name of 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide (CID 67508228) is 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide.
What is the SMILES notation for 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide?
The canonical SMILES for 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide is NC(=O)C1(C(=O)N(c2cc(I)ccn2)C2CC2)CC1.
What is the InChIKey of 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide?
The InChIKey is FACGOUQOAXYBDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14IN3O2/c14-8-3-6-16-10(7-8)17(9-1-2-9)12(19)13(4-5-13)11(15)18/h3,6-7,9H,1-2,4-5H2,(H2,15,18).
What are the key properties of 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide?
1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide has a molecular weight of 371.18 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-cyclopropyl-1-N'-(4-iodo-2-pyridinyl)cyclopropane-1,1-dicarboxamide is sourced from PubChem (CID 67508228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).