3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide

C17H23N5O2 — CID 51101895

IUPAC3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1ccn(Cc2cccnc2)n1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)9-15(23)19-11-16(24)20-14-6-8-22(21-14)12-13-5-4-7-18-10-13/h4-8,10H,9,11-12H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyQWBWDRRDNDWCSB-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.82
Rot. Bonds6

About 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide

3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide (PubChem CID 51101895) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide.

Molecular Properties

Compound Name3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide
PubChem CID51101895
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide
SMILESCC(C)(C)CC(=O)NCC(=O)Nc1ccn(Cc2cccnc2)n1
InChIInChI=1S/C17H23N5O2/c1-17(2,3)9-15(23)19-11-16(24)20-14-6-8-22(21-14)12-13-5-4-7-18-10-13/h4-8,10H,9,11-12H2,1-3H3,(H,19,23)(H,20,21,24)
InChIKeyQWBWDRRDNDWCSB-UHFFFAOYSA-N
XLogP1.82
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide?
The IUPAC name of 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide (CID 51101895) is 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide.
What is the SMILES notation for 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide?
The canonical SMILES for 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide is CC(C)(C)CC(=O)NCC(=O)Nc1ccn(Cc2cccnc2)n1.
What is the InChIKey of 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide?
The InChIKey is QWBWDRRDNDWCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-17(2,3)9-15(23)19-11-16(24)20-14-6-8-22(21-14)12-13-5-4-7-18-10-13/h4-8,10H,9,11-12H2,1-3H3,(H,19,23)(H,20,21,24).
What are the key properties of 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide?
3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide has a molecular weight of 329.40 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-[2-oxo-2-[[1-(pyridin-3-ylmethyl)pyrazol-3-yl]amino]ethyl]butanamide is sourced from PubChem (CID 51101895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).