N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide

C18H23N3O2 — CID 113019664

IUPACN-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)CC(C)C)cn2)cc1
InChIInChI=1S/C18H23N3O2/c1-4-23-16-8-5-14(6-9-16)20-17-10-7-15(12-19-17)21-18(22)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPCLCSEJLPJTSEU-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.21
Rot. Bonds7

About N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide

N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide (PubChem CID 113019664) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
PubChem CID113019664
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
SMILESCCOc1ccc(Nc2ccc(NC(=O)CC(C)C)cn2)cc1
InChIInChI=1S/C18H23N3O2/c1-4-23-16-8-5-14(6-9-16)20-17-10-7-15(12-19-17)21-18(22)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,19,20)(H,21,22)
InChIKeyPCLCSEJLPJTSEU-UHFFFAOYSA-N
XLogP4.21
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
CID 113021236
N-[6-(4-ethoxyanilino)-3-pyridinyl]acetamide
CID 113019659
N-[6-(4-ethoxyanilino)-3-pyridinyl]-2-(4-fluorophenyl)acetamide
CID 113019688
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
N-[6-(4-methoxyanilino)-3-pyridinyl]propanamide
CID 113019477
N-[5-(4-ethoxyanilino)-2-pyridinyl]acetamide
CID 113034324
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415
N-[5-(4-ethylanilino)-2-pyridinyl]-3-methylbutanamide
CID 113032476
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
N-[6-(butylamino)-3-pyridinyl]-3-methylbutanamide
CID 113009445
N-(4-ethoxyphenyl)-3-hydroxybutanamide
CID 14130
3-methyl-N-[6-(2-methyl-6-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113018002

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide?
The IUPAC name of N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide (CID 113019664) is N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide.
What is the SMILES notation for N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide?
The canonical SMILES for N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide is CCOc1ccc(Nc2ccc(NC(=O)CC(C)C)cn2)cc1.
What is the InChIKey of N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide?
The InChIKey is PCLCSEJLPJTSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-4-23-16-8-5-14(6-9-16)20-17-10-7-15(12-19-17)21-18(22)11-13(2)3/h5-10,12-13H,4,11H2,1-3H3,(H,19,20)(H,21,22).
What are the key properties of N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide?
N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide has a molecular weight of 313.40 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide is sourced from PubChem (CID 113019664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).