3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide

C9H12ClN3O — CID 103911721

IUPAC3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1ccnc(Cl)c1
InChIInChI=1S/C9H12ClN3O/c1-11-9(14)3-5-12-7-2-4-13-8(10)6-7/h2,4,6H,3,5H2,1H3,(H,11,14)(H,12,13)
InChIKeyHMYONZZPVNIMRW-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.28
Rot. Bonds4

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

3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide (PubChem CID 103911721) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
PubChem CID103911721
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
SMILESCNC(=O)CCNc1ccnc(Cl)c1
InChIInChI=1S/C9H12ClN3O/c1-11-9(14)3-5-12-7-2-4-13-8(10)6-7/h2,4,6H,3,5H2,1H3,(H,11,14)(H,12,13)
InChIKeyHMYONZZPVNIMRW-UHFFFAOYSA-N
XLogP1.28
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.28
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]propanamide
CID 102824025
3-[(2-chloro-4-pyridinyl)amino]-N-(5-methyl-2-pyridinyl)propanamide
CID 133360689
3-(4-chloroanilino)-N-methylpropanamide
CID 10899951
N,N'-bis(2-chloro-4-pyridinyl)propanediamide
CID 86045636
2-chloro-N-(3-methylbutyl)pyridin-4-amine
CID 75525064
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 103756780
3-(3-fluoro-4-methylanilino)-N-methylpropanamide
CID 62325316
6-[(2-chloro-4-pyridinyl)amino]hexan-1-ol
CID 103918247
N-methyl-3-(3-methylsulfanylanilino)propanamide
CID 62324761
2-chloro-N-pent-3-ynylpyridin-4-amine
CID 106196309
3-(3-bromoanilino)-N-methylpropanamide
CID 62324388
N-(2-chloro-4-pyridinyl)-N',N'-diethylethane-1,2-diamine
CID 83813273

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide (CID 103911721) is 3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide is CNC(=O)CCNc1ccnc(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide?
The InChIKey is HMYONZZPVNIMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-11-9(14)3-5-12-7-2-4-13-8(10)6-7/h2,4,6H,3,5H2,1H3,(H,11,14)(H,12,13).
What are the key properties of 3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide?
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide has a molecular weight of 213.67 g/mol, XLogP of 1.28, 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]-N-methylpropanamide is sourced from PubChem (CID 103911721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).