3-[(2-chloro-4-pyridinyl)amino]propanamide

C8H10ClN3O — CID 102824025

IUPAC3-[(2-chloro-4-pyridinyl)amino]propanamide
SMILESNC(=O)CCNc1ccnc(Cl)c1
InChIInChI=1S/C8H10ClN3O/c9-7-5-6(1-3-12-7)11-4-2-8(10)13/h1,3,5H,2,4H2,(H2,10,13)(H,11,12)
InChIKeyNLIBURZJXFWCEC-UHFFFAOYSA-N
MW199.64 g/mol
LogP1.02
Rot. Bonds4

About 3-[(2-chloro-4-pyridinyl)amino]propanamide

3-[(2-chloro-4-pyridinyl)amino]propanamide (PubChem CID 102824025) has the molecular formula C8H10ClN3O and a molecular weight of 199.64 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)amino]propanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)amino]propanamide
PubChem CID102824025
Molecular FormulaC8H10ClN3O
Molecular Weight199.64 g/mol
Exact Mass199.05
IUPAC Name3-[(2-chloro-4-pyridinyl)amino]propanamide
SMILESNC(=O)CCNc1ccnc(Cl)c1
InChIInChI=1S/C8H10ClN3O/c9-7-5-6(1-3-12-7)11-4-2-8(10)13/h1,3,5H,2,4H2,(H2,10,13)(H,11,12)
InChIKeyNLIBURZJXFWCEC-UHFFFAOYSA-N
XLogP1.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.64
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
5-[(2-amino-4-pyridinyl)amino]pentanamide
CID 106241510
3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 133360689
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
3-(3,4-dimethylanilino)propanamide
CID 43131963
3-(3,5-dichloro-4-fluoroanilino)propanamide
CID 107573902
3-[(3-amino-3-oxopropyl)amino]benzamide
CID 107811145
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273
1-[2-[(2-chloro-4-pyridinyl)amino]ethyl]cyclobutan-1-ol
CID 131008554

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]propanamide?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]propanamide (CID 102824025) is 3-[(2-chloro-4-pyridinyl)amino]propanamide.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)amino]propanamide?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)amino]propanamide is NC(=O)CCNc1ccnc(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)amino]propanamide?
The InChIKey is NLIBURZJXFWCEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClN3O/c9-7-5-6(1-3-12-7)11-4-2-8(10)13/h1,3,5H,2,4H2,(H2,10,13)(H,11,12).
What are the key properties of 3-[(2-chloro-4-pyridinyl)amino]propanamide?
3-[(2-chloro-4-pyridinyl)amino]propanamide has a molecular weight of 199.64 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)amino]propanamide is sourced from PubChem (CID 102824025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).