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

C10H14ClN3O — CID 103756780

IUPAC3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-12-10(15)4-6-14(2)8-3-5-13-9(11)7-8/h3,5,7H,4,6H2,1-2H3,(H,12,15)
InChIKeyFARIOPRFTJCQEK-UHFFFAOYSA-N
MW227.70 g/mol
LogP1.31
Rot. Bonds4

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

3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide (PubChem CID 103756780) has the molecular formula C10H14ClN3O and a molecular weight of 227.70 g/mol. Its IUPAC name is 3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide.

Molecular Properties

Compound Name3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
PubChem CID103756780
Molecular FormulaC10H14ClN3O
Molecular Weight227.70 g/mol
Exact Mass227.08
IUPAC Name3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide
SMILESCNC(=O)CCN(C)c1ccnc(Cl)c1
InChIInChI=1S/C10H14ClN3O/c1-12-10(15)4-6-14(2)8-3-5-13-9(11)7-8/h3,5,7H,4,6H2,1-2H3,(H,12,15)
InChIKeyFARIOPRFTJCQEK-UHFFFAOYSA-N
XLogP1.31
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.70
LogP ≤ 51.31
H-Bond Donors ≤ 51
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-cyano-4-pyridinyl)-methylamino]-N-methylpropanamide
CID 106915466
3-[(2-chloro-4-pyridinyl)-methylamino]-N,2-dimethylpropanamide
CID 103757167
2-[(2-chloro-4-pyridinyl)-ethylamino]-N-methylacetamide
CID 102824068
N'-(2-chloro-4-pyridinyl)-N,N,N'-trimethylethane-1,2-diamine
CID 103757162
3-[(2-chloro-4-pyridinyl)amino]-N-methylpropanamide
CID 103911721
5-[methyl-[3-(methylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 106916049
3-[(5-chloro-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-methylamino]-N-methylpropanamide
CID 106917443
2-[[(2-chloro-4-pyridinyl)-methylamino]methyl]butanoic acid
CID 177061326
3-[(4-amino-6-chloro-2-pyridinyl)-methylamino]-N-methylpropanamide
CID 104924164
2-chloro-N-(2,2-dimethylpropyl)-N-methylpyridin-4-amine
CID 103756761
3-(3,5-dimethoxy-N-methylanilino)-N-methylpropanamide
CID 68684023
3-[(6-chloro-2-phenylpyrimidin-4-yl)-methylamino]-N-methylpropanamide
CID 106917420

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide?
The IUPAC name of 3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide (CID 103756780) is 3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide.
What is the SMILES notation for 3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide?
The canonical SMILES for 3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide is CNC(=O)CCN(C)c1ccnc(Cl)c1.
What is the InChIKey of 3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide?
The InChIKey is FARIOPRFTJCQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-12-10(15)4-6-14(2)8-3-5-13-9(11)7-8/h3,5,7H,4,6H2,1-2H3,(H,12,15).
What are the key properties of 3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide?
3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide has a molecular weight of 227.70 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-4-pyridinyl)-methylamino]-N-methylpropanamide is sourced from PubChem (CID 103756780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).