N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide

C19H26N4O — CID 113020858

IUPACN-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C19H26N4O/c1-5-14(6-2)19(24)22-16-9-12-18(20-13-16)21-15-7-10-17(11-8-15)23(3)4/h7-14H,5-6H2,1-4H3,(H,20,21)(H,22,24)
InChIKeyDWYYAALRZTUPEQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.27
Rot. Bonds7

About N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide

N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide (PubChem CID 113020858) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
PubChem CID113020858
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1ccc(Nc2ccc(N(C)C)cc2)nc1
InChIInChI=1S/C19H26N4O/c1-5-14(6-2)19(24)22-16-9-12-18(20-13-16)21-15-7-10-17(11-8-15)23(3)4/h7-14H,5-6H2,1-4H3,(H,20,21)(H,22,24)
InChIKeyDWYYAALRZTUPEQ-UHFFFAOYSA-N
XLogP4.27
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019893
2-ethyl-N-[6-(methylamino)-3-pyridinyl]butanamide
CID 115268467
2-ethyl-N-[6-(3-methylanilino)-3-pyridinyl]butanamide
CID 113016204
2-ethyl-N-[6-(3-fluoroanilino)-3-pyridinyl]butanamide
CID 113021263
2-ethyl-N-[6-(propylamino)-3-pyridinyl]butanamide
CID 113009034
2-ethyl-N-[6-(2-hydroxyethylamino)-3-pyridinyl]butanamide
CID 28903437
N-[6-(2-tert-butylanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113018058
N-[6-[4-chloro-3-(trifluoromethyl)anilino]-3-pyridinyl]-2-ethylbutanamide
CID 113022012
N-[6-(2,5-dimethoxyanilino)-3-pyridinyl]-2-ethylbutanamide
CID 113019957
6-[4-(dimethylamino)anilino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164189
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-phenylacetamide
CID 113035518
N-[5-[4-(dimethylamino)anilino]-2-pyridinyl]-2-(2-methylphenyl)acetamide
CID 113035538

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide?
The IUPAC name of N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide (CID 113020858) is N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide.
What is the SMILES notation for N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide?
The canonical SMILES for N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1ccc(Nc2ccc(N(C)C)cc2)nc1.
What is the InChIKey of N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide?
The InChIKey is DWYYAALRZTUPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-5-14(6-2)19(24)22-16-9-12-18(20-13-16)21-15-7-10-17(11-8-15)23(3)4/h7-14H,5-6H2,1-4H3,(H,20,21)(H,22,24).
What are the key properties of N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide?
N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide has a molecular weight of 326.44 g/mol, XLogP of 4.27, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(dimethylamino)anilino]-3-pyridinyl]-2-ethylbutanamide is sourced from PubChem (CID 113020858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).