N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide

C12H18ClN3O — CID 114256408

IUPACN-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cnc(Cl)cc1C
InChIInChI=1S/C12H18ClN3O/c1-4-14-6-9(3)12(17)16-10-7-15-11(13)5-8(10)2/h5,7,9,14H,4,6H2,1-3H3,(H,16,17)
InChIKeyUEPJNWGYMBLBGX-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.23
Rot. Bonds5

About N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide

N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide (PubChem CID 114256408) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide
PubChem CID114256408
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC NameN-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide
SMILESCCNCC(C)C(=O)Nc1cnc(Cl)cc1C
InChIInChI=1S/C12H18ClN3O/c1-4-14-6-9(3)12(17)16-10-7-15-11(13)5-8(10)2/h5,7,9,14H,4,6H2,1-3H3,(H,16,17)
InChIKeyUEPJNWGYMBLBGX-UHFFFAOYSA-N
XLogP2.23
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.23
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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Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide?
The IUPAC name of N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide (CID 114256408) is N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide?
The canonical SMILES for N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide is CCNCC(C)C(=O)Nc1cnc(Cl)cc1C.
What is the InChIKey of N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide?
The InChIKey is UEPJNWGYMBLBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O/c1-4-14-6-9(3)12(17)16-10-7-15-11(13)5-8(10)2/h5,7,9,14H,4,6H2,1-3H3,(H,16,17).
What are the key properties of N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide?
N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide has a molecular weight of 255.75 g/mol, XLogP of 2.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-4-methyl-3-pyridinyl)-3-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 114256408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).