3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide

C23H25N3O2 — CID 113021236

IUPAC3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C23H25N3O2/c1-17(2)14-23(27)26-20-10-13-22(24-15-20)25-19-8-11-21(12-9-19)28-16-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyWCHKVNUMSBDDQU-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.39
Rot. Bonds8

About 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide

3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide (PubChem CID 113021236) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide.

Molecular Properties

Compound Name3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
PubChem CID113021236
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide
SMILESCC(C)CC(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1
InChIInChI=1S/C23H25N3O2/c1-17(2)14-23(27)26-20-10-13-22(24-15-20)25-19-8-11-21(12-9-19)28-16-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyWCHKVNUMSBDDQU-UHFFFAOYSA-N
XLogP5.39
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(4-ethoxyanilino)-3-pyridinyl]-3-methylbutanamide
CID 113019664
ethyl N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]carbamate
CID 113021244
3-phenyl-N-[6-(4-propan-2-yloxyanilino)-3-pyridinyl]propanamide
CID 113019912
3-methyl-N-[6-(2-propan-2-yloxyanilino)-3-pyridinyl]butanamide
CID 113019825
N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]ethanesulfonamide
CID 113021250
3-methyl-N-[6-(2-propan-2-ylanilino)-3-pyridinyl]butanamide
CID 113017723
ethyl N-[5-(4-phenylmethoxyanilino)-2-pyridinyl]carbamate
CID 113035842
N-[6-(3-bromoanilino)-3-pyridinyl]-3-methylbutanamide
CID 113021415
methyl N-[6-(4-phenylmethoxyanilino)pyridazin-3-yl]carbamate
CID 113049917
3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
N-(6-anilino-3-pyridinyl)-3-phenylpropanamide
CID 113016040
N-(2-methylpropyl)-N'-(4-phenylmethoxyphenyl)propanediamide
CID 108941699

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide?
The IUPAC name of 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide (CID 113021236) is 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide.
What is the SMILES notation for 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide?
The canonical SMILES for 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide is CC(C)CC(=O)Nc1ccc(Nc2ccc(OCc3ccccc3)cc2)nc1.
What is the InChIKey of 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide?
The InChIKey is WCHKVNUMSBDDQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17(2)14-23(27)26-20-10-13-22(24-15-20)25-19-8-11-21(12-9-19)28-16-18-6-4-3-5-7-18/h3-13,15,17H,14,16H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide?
3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide has a molecular weight of 375.47 g/mol, XLogP of 5.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[6-(4-phenylmethoxyanilino)-3-pyridinyl]butanamide is sourced from PubChem (CID 113021236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).