(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide

C14H13ClIN3O — CID 25381234

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
SMILESC[C@H](Nc1ccc(I)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClIN3O/c1-9(18-12-5-3-11(16)4-6-12)14(20)19-13-7-2-10(15)8-17-13/h2-9,18H,1H3,(H,17,19,20)/t9-/m0/s1
InChIKeyVXVIQGXAQJDLJC-VIFPVBQESA-N
MW401.64 g/mol
LogP3.78
Rot. Bonds4

About (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide (PubChem CID 25381234) has the molecular formula C14H13ClIN3O and a molecular weight of 401.64 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
PubChem CID25381234
Molecular FormulaC14H13ClIN3O
Molecular Weight401.64 g/mol
Exact Mass400.98
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
SMILESC[C@H](Nc1ccc(I)cc1)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C14H13ClIN3O/c1-9(18-12-5-3-11(16)4-6-12)14(20)19-13-7-2-10(15)8-17-13/h2-9,18H,1H3,(H,17,19,20)/t9-/m0/s1
InChIKeyVXVIQGXAQJDLJC-VIFPVBQESA-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': 'iodine', 'substructure': 'N/A'}

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Related Compounds

methyl N-[4-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]phenyl]carbamate
CID 87033176
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(2S)-2-(1,3-benzodioxol-5-ylamino)-N-(5-chloro-2-pyridinyl)propanamide
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(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
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(2S)-N-(5-chloro-2-methylphenyl)-2-(4-iodoanilino)propanamide
CID 9431031
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxyanilino)propanamide
CID 25381199
(2S)-2-(5-acetamido-2-methoxyanilino)-N-(5-chloro-2-pyridinyl)propanamide
CID 35972098
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
2-(4-iodoanilino)-N-methylpropanamide
CID 43086006
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
N-[5-[[1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl]amino]-2-methoxyphenyl]-3-fluorobenzamide
CID 60542464
(2R)-N-(5-chloro-2-pyridinyl)-2-(2-methoxy-5-methylanilino)propanamide
CID 35968819

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide (CID 25381234) is (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide is C[C@H](Nc1ccc(I)cc1)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide?
The InChIKey is VXVIQGXAQJDLJC-VIFPVBQESA-N. The full InChI is InChI=1S/C14H13ClIN3O/c1-9(18-12-5-3-11(16)4-6-12)14(20)19-13-7-2-10(15)8-17-13/h2-9,18H,1H3,(H,17,19,20)/t9-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-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 (2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide is sourced from PubChem (CID 25381234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).