N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide

C20H25N3O2 — CID 95127745

IUPACN-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide
SMILESCC[C@H](C)N(C(=O)c1cccc(Oc2ncccn2)c1)C1CCCC1
InChIInChI=1S/C20H25N3O2/c1-3-15(2)23(17-9-4-5-10-17)19(24)16-8-6-11-18(14-16)25-20-21-12-7-13-22-20/h6-8,11-15,17H,3-5,9-10H2,1-2H3/t15-/m0/s1
InChIKeyOPVFUEWLAVZWON-HNNXBMFYSA-N
MW339.44 g/mol
LogP4.45
Rot. Bonds6

About N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide

N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide (PubChem CID 95127745) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide
PubChem CID95127745
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC NameN-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide
SMILESCC[C@H](C)N(C(=O)c1cccc(Oc2ncccn2)c1)C1CCCC1
InChIInChI=1S/C20H25N3O2/c1-3-15(2)23(17-9-4-5-10-17)19(24)16-8-6-11-18(14-16)25-20-21-12-7-13-22-20/h6-8,11-15,17H,3-5,9-10H2,1-2H3/t15-/m0/s1
InChIKeyOPVFUEWLAVZWON-HNNXBMFYSA-N
XLogP4.45
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide?
The IUPAC name of N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide (CID 95127745) is N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide.
What is the SMILES notation for N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide?
The canonical SMILES for N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide is CC[C@H](C)N(C(=O)c1cccc(Oc2ncccn2)c1)C1CCCC1.
What is the InChIKey of N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide?
The InChIKey is OPVFUEWLAVZWON-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-3-15(2)23(17-9-4-5-10-17)19(24)16-8-6-11-18(14-16)25-20-21-12-7-13-22-20/h6-8,11-15,17H,3-5,9-10H2,1-2H3/t15-/m0/s1.
What are the key properties of N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide?
N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide has a molecular weight of 339.44 g/mol, XLogP of 4.45, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-butan-2-yl]-N-cyclopentyl-3-pyrimidin-2-yloxybenzamide is sourced from PubChem (CID 95127745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).