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

C11H16ClN3O — CID 103112969

IUPAC2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-4-15(3)11(16)8(2)14-9-5-6-13-10(12)7-9/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyNPHYVTIGOPJSON-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.01
Rot. Bonds4

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

2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide (PubChem CID 103112969) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
PubChem CID103112969
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccnc(Cl)c1
InChIInChI=1S/C11H16ClN3O/c1-4-15(3)11(16)8(2)14-9-5-6-13-10(12)7-9/h5-8H,4H2,1-3H3,(H,13,14)
InChIKeyNPHYVTIGOPJSON-UHFFFAOYSA-N
XLogP2.01
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.01
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

N-Pyridin-4-ylacetamide
CID 21288
1-(3-Chloropyridin-4-yl)piperazine
CID 11651319
6-amino-N-(pyridin-4-yl)hexanamide hydrochloride
CID 16745846
4-(2,2,2-Trimethylacetamido)pyridine
CID 427059
1-[(4-Chloro-phenylcarbamoyl)-methyl]-4-dimethylamino-pyridinium
CID 23724234
N-(2-chloropyridin-3-yl)butanamide
CID 836741
2-Chloro-N4-methylpyridine-3,4-diamine
CID 915180
N-(4-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide
CID 3165618
N-allyl-4-chloro-2-pyridinecarboxamide
CID 3743768
2-[4-(dimethylamino)pyridin-1-ium-1-yl]-N-(2,4,6-trichlorophenyl)acetamide chloride
CID 16192844
1-[(6-Chloropyridin-3-yl)methyl]piperazine-2,3-dione
CID 71441372
(3E)-1-(3-chloro-4-pyridinyl)-3-(1-methyl-4-oxoimidazolidin-2-ylidene)urea
CID 136124387

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide (CID 103112969) is 2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccnc(Cl)c1.
What is the InChIKey of 2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
The InChIKey is NPHYVTIGOPJSON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-4-15(3)11(16)8(2)14-9-5-6-13-10(12)7-9/h5-8H,4H2,1-3H3,(H,13,14).
What are the key properties of 2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide?
2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide has a molecular weight of 241.72 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103112969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).