3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide

C19H21N5O2 — CID 56740160

IUPAC3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)CC(C)n2ccnc2)cn1
InChIInChI=1S/C19H21N5O2/c1-14-5-6-17(12-22-14)26-19-16(4-3-7-21-19)11-23-18(25)10-15(2)24-9-8-20-13-24/h3-9,12-13,15H,10-11H2,1-2H3,(H,23,25)
InChIKeyDKJKBIRXOWIIDC-UHFFFAOYSA-N
MW351.41 g/mol
LogP3.04
Rot. Bonds7

About 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide

3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide (PubChem CID 56740160) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide.

Molecular Properties

Compound Name3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide
PubChem CID56740160
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide
SMILESCc1ccc(Oc2ncccc2CNC(=O)CC(C)n2ccnc2)cn1
InChIInChI=1S/C19H21N5O2/c1-14-5-6-17(12-22-14)26-19-16(4-3-7-21-19)11-23-18(25)10-15(2)24-9-8-20-13-24/h3-9,12-13,15H,10-11H2,1-2H3,(H,23,25)
InChIKeyDKJKBIRXOWIIDC-UHFFFAOYSA-N
XLogP3.04
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide?
The IUPAC name of 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide (CID 56740160) is 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide.
What is the SMILES notation for 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide?
The canonical SMILES for 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide is Cc1ccc(Oc2ncccc2CNC(=O)CC(C)n2ccnc2)cn1.
What is the InChIKey of 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide?
The InChIKey is DKJKBIRXOWIIDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-14-5-6-17(12-22-14)26-19-16(4-3-7-21-19)11-23-18(25)10-15(2)24-9-8-20-13-24/h3-9,12-13,15H,10-11H2,1-2H3,(H,23,25).
What are the key properties of 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide?
3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide has a molecular weight of 351.41 g/mol, XLogP of 3.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-N-[[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methyl]butanamide is sourced from PubChem (CID 56740160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).