4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide

C21H26ClI2N3O — CID 70413984

IUPAC4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide
SMILESCC(CI)N(CCC(C(N)=O)(c1ccccn1)c1ccccc1Cl)C(C)CI
InChIInChI=1S/C21H26ClI2N3O/c1-15(13-23)27(16(2)14-24)12-10-21(20(25)28,19-9-5-6-11-26-19)17-7-3-4-8-18(17)22/h3-9,11,15-16H,10,12-14H2,1-2H3,(H2,25,28)
InChIKeyOGFCIMCQCGOROB-UHFFFAOYSA-N
MW625.72 g/mol
LogP4.85
Rot. Bonds10

About 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide

4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide (PubChem CID 70413984) has the molecular formula C21H26ClI2N3O and a molecular weight of 625.72 g/mol. Its IUPAC name is 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide.

Molecular Properties

Compound Name4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide
PubChem CID70413984
Molecular FormulaC21H26ClI2N3O
Molecular Weight625.72 g/mol
Exact Mass624.99
IUPAC Name4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide
SMILESCC(CI)N(CCC(C(N)=O)(c1ccccn1)c1ccccc1Cl)C(C)CI
InChIInChI=1S/C21H26ClI2N3O/c1-15(13-23)27(16(2)14-24)12-10-21(20(25)28,19-9-5-6-11-26-19)17-7-3-4-8-18(17)22/h3-9,11,15-16H,10,12-14H2,1-2H3,(H2,25,28)
InChIKeyOGFCIMCQCGOROB-UHFFFAOYSA-N
XLogP4.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500625.72
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[di(propan-2-yl)amino]ethyl]-3-methyl-2-pyridin-2-ylbutanamide
CID 12923157
2-[2-[di(propan-2-yl)amino]ethyl]-5-methyl-2-pyridin-2-ylhexanamide
CID 12923164
4-[di(propan-2-yl)amino]-N,N',N'-trimethyl-2-phenyl-2-pyridin-2-ylbutanehydrazide
CID 23277066
2-[2-(diethylamino)ethyl]-4-methyl-2-pyridin-2-ylpentanamide
CID 12923166
2-(dimethylamino)-2-pyridin-2-ylpentanamide
CID 129053121
4-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-phenyl-2-pyridin-2-ylbutanamide
CID 45038869
2-(2,2-dimethylpropyl)-4,4-dimethyl-2-pyridin-2-ylpentanamide
CID 3054960
triethyl pyridin-2-ylmethanetricarboxylate
CID 102130107
4-(4-methylpiperazin-1-yl)-2-phenyl-2-pyridin-2-ylbutanamide
CID 10315097
2,2-bis(2-chlorophenyl)propanediamide
CID 118221766
2-(2-chlorophenyl)-2-(propan-2-ylamino)propanamide
CID 60788357
2-hydroxy-3-methyl-2-pyridin-2-ylbutanoic acid
CID 83698678

Frequently Asked Questions

What is the IUPAC name of 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide?
The IUPAC name of 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide (CID 70413984) is 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide.
What is the SMILES notation for 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide?
The canonical SMILES for 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide is CC(CI)N(CCC(C(N)=O)(c1ccccn1)c1ccccc1Cl)C(C)CI.
What is the InChIKey of 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide?
The InChIKey is OGFCIMCQCGOROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26ClI2N3O/c1-15(13-23)27(16(2)14-24)12-10-21(20(25)28,19-9-5-6-11-26-19)17-7-3-4-8-18(17)22/h3-9,11,15-16H,10,12-14H2,1-2H3,(H2,25,28).
What are the key properties of 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide?
4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide has a molecular weight of 625.72 g/mol, XLogP of 4.85, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bis(1-iodopropan-2-yl)amino]-2-(2-chlorophenyl)-2-pyridin-2-ylbutanamide is sourced from PubChem (CID 70413984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).