N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide

C14H13ClIN3O — CID 78818879

IUPACN-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide
SMILESCC(Nc1cccc(I)c1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H13ClIN3O/c1-9(18-11-5-2-4-10(16)8-11)14(20)19-12-6-3-7-17-13(12)15/h2-9,18H,1H3,(H,19,20)
InChIKeyIWQVOCHMNNTULW-UHFFFAOYSA-N
MW401.64 g/mol
LogP3.78
Rot. Bonds4

About N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide

N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide (PubChem CID 78818879) has the molecular formula C14H13ClIN3O and a molecular weight of 401.64 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide
PubChem CID78818879
Molecular FormulaC14H13ClIN3O
Molecular Weight401.64 g/mol
Exact Mass400.98
IUPAC NameN-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide
SMILESCC(Nc1cccc(I)c1)C(=O)Nc1cccnc1Cl
InChIInChI=1S/C14H13ClIN3O/c1-9(18-11-5-2-4-10(16)8-11)14(20)19-12-6-3-7-17-13(12)15/h2-9,18H,1H3,(H,19,20)
InChIKeyIWQVOCHMNNTULW-UHFFFAOYSA-N
XLogP3.78
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.64
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-iodoanilino)propanamide
CID 55430490
(2R)-N-(2-chloro-3-pyridinyl)-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propanamide
CID 35644462
N-(2,6-dimethylphenyl)-2-(3-iodoanilino)propanamide
CID 134041322
2-bromo-N-(2-chloro-3-pyridinyl)propanamide
CID 107903037
3-[2-(3-iodoanilino)propanoylamino]-N-methylbenzamide
CID 112811069
2-[(2-chloro-3-pyridinyl)amino]propanoic acid
CID 66174310
(2S)-2-anilino-N-(2,6-dichloro-3-pyridinyl)propanamide
CID 121412300
(2R)-N-(2-chloro-3-pyridinyl)-2-(2-methyl-4-morpholin-4-ylanilino)propanamide
CID 94114535
[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl] 3-(2,2-dimethylpropanoylamino)benzoate
CID 55539994
(2S)-2-(azepan-1-yl)-N-(2-chloro-3-pyridinyl)propanamide
CID 9249896
N-(2-chloro-3-pyridinyl)-1-[1-[(2-chloro-3-pyridinyl)amino]-1-oxopropan-2-yl]pyrazole-3-carboxamide
CID 44824002
(2S)-2-[3-chloro-4-(2-oxopyrrolidin-1-yl)anilino]-N-quinolin-5-ylpropanamide
CID 34281309

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide (CID 78818879) is N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide is CC(Nc1cccc(I)c1)C(=O)Nc1cccnc1Cl.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide?
The InChIKey is IWQVOCHMNNTULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClIN3O/c1-9(18-11-5-2-4-10(16)8-11)14(20)19-12-6-3-7-17-13(12)15/h2-9,18H,1H3,(H,19,20).
What are the key properties of N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide?
N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide has a molecular weight of 401.64 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-2-(3-iodoanilino)propanamide is sourced from PubChem (CID 78818879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).